/* Automatically generated file. Do not edit. * Format: ANSI C source code * Creator: McXtrace * Instrument: SOLEIL_ROCK.instr (SOLEIL_ROCK) * Date: Tue Apr 7 00:46:18 2026 * File: ./SOLEIL_ROCK.c * CFLAGS= -std=c99 @XRLFLAGS@ -DUSE_OFF -DFUNNEL */ #ifndef WIN32 # ifndef OPENACC # define _GNU_SOURCE # endif # define _POSIX_C_SOURCE 200809L #endif /* In case of cl.exe on Windows, supppress warnings about #pragma acc */ #ifdef _MSC_EXTENSIONS #pragma warning(disable: 4068) #endif #define MCCODE_STRING " 3.99.99, git" #define FLAVOR "mcxtrace" #define FLAVOR_UPPER "MCXTRACE" #define MC_USE_DEFAULT_MAIN #define MC_TRACE_ENABLED #include #include typedef double MCNUM; typedef struct {MCNUM x, y, z;} Coords; typedef MCNUM Rotation[3][3]; #define MCCODE_BASE_TYPES /* available random number generators */ #define _RNG_ALG_MT 1 #define _RNG_ALG_KISS 2 /* selection of random number generator */ #ifndef RNG_ALG # define RNG_ALG _RNG_ALG_KISS #endif #if RNG_ALG == _RNG_ALG_MT // MT #define randstate_t uint32_t #elif RNG_ALG == _RNG_ALG_KISS // KISS #define randstate_t uint64_t #endif #ifndef MC_NUSERVAR #define MC_NUSERVAR 10 #endif /* Particle JUMP control logic */ struct particle_logic_struct { int dummy; }; struct _struct_particle { double x,y,z; /* position [m] */ double kx,ky,kz; /* wave-vector */ double phi, Ex,Ey,Ez; /* phase and electrical field */ int allow_backprop; /* allow backprop */ /* Generic Temporaries: */ /* May be used internally by components e.g. for special */ /* return-values from functions used in trace, thusreturned via */ /* particle struct. (Example: Wolter Conics from McStas, silicon slabs.) */ double _mctmp_a; /* temp a */ double _mctmp_b; /* temp b */ double _mctmp_c; /* temp c */ randstate_t randstate[7]; double t, p; /* time, event weight */ long long _uid; /* Unique event ID */ long _index; /* component index where to send this event */ long _absorbed; /* flag set to TRUE when this event is to be removed/ignored */ long _scattered; /* flag set to TRUE when this event has interacted with the last component instance */ long _restore; /* set to true if neutron event must be restored */ long flag_nocoordschange; /* set to true if particle is jumping */ struct particle_logic_struct _logic; }; typedef struct _struct_particle _class_particle; _class_particle _particle_global_randnbuse_var; _class_particle* _particle = &_particle_global_randnbuse_var; #pragma acc routine _class_particle mcgenstate(void); #pragma acc routine _class_particle mcsetstate(double x, double y, double z, double kx, double ky, double kz, double phi, double t, double Ex, double Ey, double Ez, double p, int mcgravitation, void *mcMagnet, int mcallowbackprop); #pragma acc routine _class_particle mcgetstate(_class_particle mcphoton, double *x, double *y, double *z, double *kx, double *ky, double *kz, double *phi, double *t, double *Ex, double *Ey, double *Ez, double *p); extern int mcgravitation; /* flag to enable gravitation */ #pragma acc declare create ( mcgravitation ) _class_particle mcgenstate(void) { _class_particle particle = mcsetstate(0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, mcgravitation, NULL, 0); return(particle); } /*Generated user variable handlers:*/ #pragma acc routine double particle_getvar(_class_particle *p, char *name, int *suc); #ifdef OPENACC #pragma acc routine int str_comp(char *str1, char *str2); #endif double particle_getvar(_class_particle *p, char *name, int *suc){ #ifndef OPENACC #define str_comp strcmp #endif int s=1; double rval=0; if(!str_comp("x",name)){rval=p->x;s=0;} if(!str_comp("y",name)){rval=p->y;s=0;} if(!str_comp("z",name)){rval=p->z;s=0;} if(!str_comp("phi",name)){rval=p->phi;s=0;} if(!str_comp("kx",name)){rval=p->kx;s=0;} if(!str_comp("ky",name)){rval=p->ky;s=0;} if(!str_comp("kz",name)){rval=p->kz;s=0;} if(!str_comp("Ex",name)){rval=p->Ex;s=0;} if(!str_comp("Ey",name)){rval=p->Ey;s=0;} if(!str_comp("Ez",name)){rval=p->Ez;s=0;} if(!str_comp("t",name)){rval=p->t;s=0;} if(!str_comp("p",name)){rval=p->p;s=0;} if(!str_comp("_mctmp_a",name)){rval=p->_mctmp_a;s=0;} if(!str_comp("_mctmp_b",name)){rval=p->_mctmp_b;s=0;} if(!str_comp("_mctmp_c",name)){rval=p->_mctmp_c;s=0;} if (suc!=0x0) {*suc=s;} return rval; } #pragma acc routine void* particle_getvar_void(_class_particle *p, char *name, int *suc); #ifdef OPENACC #pragma acc routine int str_comp(char *str1, char *str2); #endif void* particle_getvar_void(_class_particle *p, char *name, int *suc){ #ifndef OPENACC #define str_comp strcmp #endif int s=1; void* rval=0; if(!str_comp("x",name)) {rval=(void*)&(p->x); s=0;} if(!str_comp("y",name)) {rval=(void*)&(p->y); s=0;} if(!str_comp("z",name)) {rval=(void*)&(p->z); s=0;} if(!str_comp("kx",name)){rval=(void*)&(p->kx);s=0;} if(!str_comp("ky",name)){rval=(void*)&(p->ky);s=0;} if(!str_comp("kz",name)){rval=(void*)&(p->kz);s=0;} if(!str_comp("Ex",name)){rval=(void*)&(p->Ex);s=0;} if(!str_comp("Ey",name)){rval=(void*)&(p->Ey);s=0;} if(!str_comp("Ez",name)){rval=(void*)&(p->Ez);s=0;} if(!str_comp("phi",name)){rval=(void*)&(p->phi);s=0;} if(!str_comp("t",name)) {rval=(void*)&(p->t); s=0;} if(!str_comp("p",name)) {rval=(void*)&(p->p); s=0;} if (suc!=0x0) {*suc=s;} return rval; } #pragma acc routine int particle_setvar_void(_class_particle *, char *, void*); int particle_setvar_void(_class_particle *p, char *name, void* value){ #ifndef OPENACC #define str_comp strcmp #endif int rval=1; if(!str_comp("x",name)) {memcpy(&(p->x), value, sizeof(double)); rval=0;} if(!str_comp("y",name)) {memcpy(&(p->y), value, sizeof(double)); rval=0;} if(!str_comp("z",name)) {memcpy(&(p->z), value, sizeof(double)); rval=0;} if(!str_comp("kx",name)){memcpy(&(p->kx), value, sizeof(double)); rval=0;} if(!str_comp("ky",name)){memcpy(&(p->ky), value, sizeof(double)); rval=0;} if(!str_comp("kz",name)){memcpy(&(p->kz), value, sizeof(double)); rval=0;} if(!str_comp("Ex",name)){memcpy(&(p->Ex), value, sizeof(double)); rval=0;} if(!str_comp("Ey",name)){memcpy(&(p->Ey), value, sizeof(double)); rval=0;} if(!str_comp("Ez",name)){memcpy(&(p->Ez), value, sizeof(double)); rval=0;} if(!str_comp("phi",name)){memcpy(&(p->phi), value, sizeof(double)); rval=0;} if(!str_comp("p",name)) {memcpy(&(p->p), value, sizeof(double)); rval=0;} if(!str_comp("t",name)) {memcpy(&(p->t), value, sizeof(double)); rval=0;} return rval; } #pragma acc routine int particle_setvar_void_array(_class_particle *, char *, void*, int); int particle_setvar_void_array(_class_particle *p, char *name, void* value, int elements){ #ifndef OPENACC #define str_comp strcmp #endif int rval=1; return rval; } #pragma acc routine void particle_restore(_class_particle *p, _class_particle *p0); void particle_restore(_class_particle *p, _class_particle *p0) { p->x = p0->x; p->y = p0->y; p->z = p0->z; p->kx = p0->kx; p->ky = p0->ky; p->kz = p0->kz; p->Ex = p0->Ex; p->Ey = p0->Ey; p->Ez = p0->Ez; p->t = p0->t; p->p = p0->p; p->phi = p0->phi; p->_absorbed=0; p->_restore=0; } #pragma acc routine double particle_getuservar_byid(_class_particle *p, int id, int *suc){ int s=1; double rval=0; switch(id){ } if (suc!=0x0) {*suc=s;} return rval; } #pragma acc routine void particle_uservar_init(_class_particle *p){ } #define MC_EMBEDDED_RUNTIME /* embedding file "mccode-r.h" */ /******************************************************************************* * * McCode, neutron/xray ray-tracing package * Copyright (C) 1997-2009, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Runtime: share/mccode-r.h * * %Identification * Written by: KN * Date: Aug 29, 1997 * Release: mcxtrace 3.99.99 * Version: $Revision$ * * Runtime system header for McStas/McXtrace. * * In order to use this library as an external library, the following variables * and macros must be declared (see details in the code) * * struct mcinputtable_struct mcinputtable[]; * int numipar; * metadata_table_t metadata_table[]; * int num_metadata; * char instrument_name[], instrument_source[]; * int traceenabled, defaultmain; * extern MCNUM mccomp_storein[]; * extern MCNUM mcAbsorbProp[]; * extern MCNUM mcScattered; * #define MCCODE_STRING "the McStas/McXtrace version" * * Usage: Automatically embbeded in the c code. * * $Id$ * *******************************************************************************/ #ifndef MCCODE_R_H #define MCCODE_R_H "$Revision$" #include #include #include #include #include #include #include #ifndef _MSC_EXTENSIONS #include #endif #include #include #include #ifdef OPENACC #include #ifndef GCCOFFLOAD #include #else #include #endif #pragma acc routine int noprintf(); #pragma acc routine size_t str_len(const char *s); #else #include #endif /* In case of gcc / clang, ensure to use the built-in isnan/isinf functions */ #if defined(__GNUC__) || defined(__clang__) # ifdef isnan # undef isnan # endif # ifdef isinf # undef isinf # endif # define isnan(x) __builtin_isnan(x) # define isinf(x) __builtin_isinf(x) #endif #ifdef _MSC_EXTENSIONS #ifndef _TIMES_H #define _TIMES_H #if defined(WIN32) || defined(_WIN32) #include #include #include int gettimeofday(struct timeval* t,void* timezone); #define __need_clock_t #include /* Structure describing CPU time used by a process and its children. */ struct tms { clock_t tms_utime; /* User CPU time. */ clock_t tms_stime; /* System CPU time. */ clock_t tms_cutime; /* User CPU time of dead children. */ clock_t tms_cstime; /* System CPU time of dead children. */ }; /* Store the CPU time used by this process and all its dead children (and their dead children) in BUFFER. Return the elapsed real time, or (clock_t) -1 for errors. All times are in CLK_TCKths of a second. */ clock_t times (struct tms *__buffer); typedef long long suseconds_t ; int gettimeofday(struct timeval* t,void* timezone) { struct _timeb timebuffer; _ftime( &timebuffer ); t->tv_sec=timebuffer.time; t->tv_usec=1000*timebuffer.millitm; return 0; } clock_t times (struct tms *__buffer) { __buffer->tms_utime = clock(); __buffer->tms_stime = 0; __buffer->tms_cstime = 0; __buffer->tms_cutime = 0; return __buffer->tms_utime; } #endif #endif #endif /* If the runtime is embedded in the simulation program, some definitions can be made static. */ #ifdef MC_EMBEDDED_RUNTIME # define mcstatic #else # define mcstatic #endif #ifdef __dest_os # if (__dest_os == __mac_os) # define MAC # endif #endif #ifdef __FreeBSD__ # define NEED_STAT_H #endif #if defined(__APPLE__) && defined(__GNUC__) # define NEED_STAT_H #endif #if defined(WIN32) || defined(_WIN32) # define NEED_STAT_H # define NEED_TYPES_H #endif #ifdef NEED_STAT_H # include #endif #ifdef NEED_TYPES_H # include #endif #ifndef MC_PATHSEP_C #if defined(WIN32) || defined(_WIN32) # define MC_PATHSEP_C '\\' # define MC_PATHSEP_S "\\" # else /* !WIN32 */ # define MC_PATHSEP_C '/' # define MC_PATHSEP_S "/" # endif /* !WIN32 */ #endif /* MC_PATHSEP_C */ #if defined(WIN32) || defined(_WIN32) #if defined _MSC_VER #include #elif defined __GNUC__ #include #include #include #endif #define mkdir(a,b) mkdir(a) #define getpid() _getpid() #endif /* the version string is replaced when building distribution with mkdist */ #ifndef MCCODE_STRING # define MCCODE_STRING " 3.99.99, git" #endif #ifndef MCCODE_DATE # define MCCODE_DATE "git" #endif #ifndef MCCODE_VERSION # define MCCODE_VERSION "3.99.99" #endif #ifndef __MCCODE_VERSION__ #define __MCCODE_VERSION__ 399099L #endif #ifndef MCCODE_NAME # define MCCODE_NAME "mcxtrace" #endif #ifndef MCCODE_PARTICLE # define MCCODE_PARTICLE "xray" #endif #ifndef MCCODE_PARTICLE_CODE # define MCCODE_PARTICLE_CODE 22 #endif #ifndef MCCODE_LIBENV # define MCCODE_LIBENV "MCXTRACE" #endif #ifndef FLAVOR_UPPER # define FLAVOR_UPPER MCCODE_NAME #endif #ifdef MC_PORTABLE # ifndef NOSIGNALS # define NOSIGNALS 1 # endif #endif #ifdef MAC # ifndef NOSIGNALS # define NOSIGNALS 1 # endif #endif #if (USE_MPI == 0) # undef USE_MPI #endif #ifdef USE_MPI /* default is to disable signals with MPI, as MPICH uses them to communicate */ # ifndef NOSIGNALS # define NOSIGNALS 1 # endif #endif #ifdef OPENACC /* default is to disable signals with PGI/OpenACC */ # ifndef NOSIGNALS # define NOSIGNALS 1 # endif #endif #ifndef OPENACC # ifndef USE_OFF /* default is to enable OFF when not using PGI/OpenACC */ # define USE_OFF # endif # ifndef CPUFUNNEL /* allow to enable FUNNEL-mode on CPU */ # ifdef FUNNEL /* by default disable FUNNEL-mode when not using PGI/OpenACC */ # undef FUNNEL # endif # endif #endif #if (NOSIGNALS == 0) # undef NOSIGNALS #endif /** Header information for metadata-r.c ----------------------------------------------------------------------------- */ struct metadata_table_struct { /* stores metadata strings from components */ char * source; // component name which provided the metadata char * name; // the name of the metadata char * type; // the MIME type of the metadata (free form, valid identifier) char * value; // the metadata string contents }; typedef struct metadata_table_struct metadata_table_t; char * metadata_table_key_component(char* key); char * metadata_table_key_literal(char * key); int metadata_table_defined(int, metadata_table_t *, char *); char * metadata_table_name(int, metadata_table_t *, char *); char * metadata_table_type(int, metadata_table_t *, char *); char * metadata_table_literal(int, metadata_table_t *, char *); void metadata_table_print_all_keys(int no, metadata_table_t * tab); int metadata_table_print_all_components(int no, metadata_table_t * tab); int metadata_table_print_component_keys(int no, metadata_table_t * tab, char * key); /* -------------------------------------------------------------------------- Header information for metadata-r.c --- */ /* Note: the enum instr_formal_types definition MUST be kept synchronized with the one in mccode.h and with the instr_formal_type_names array in cogen.c. */ enum instr_formal_types { instr_type_int, instr_type_string, instr_type_char, instr_type_vector, instr_type_double }; struct mcinputtable_struct { /* defines instrument parameters */ char *name; /* name of parameter */ void *par; /* pointer to instrument parameter (variable) */ enum instr_formal_types type; char *val; /* default value */ char *unit; /* expected unit for parameter; informational only */ }; #ifndef MCCODE_BASE_TYPES typedef double MCNUM; typedef struct {MCNUM x, y, z;} Coords; typedef MCNUM Rotation[3][3]; #endif /* the following variables are defined in the McStas generated C code but should be defined externally in case of independent library usage */ #ifndef DANSE extern struct mcinputtable_struct mcinputtable[]; /* list of instrument parameters */ extern int numipar; /* number of instrument parameters */ extern metadata_table_t metadata_table[]; /* list of component-defined string metadata */ extern int num_metadata; /* number of component-defined string metadata */ extern char instrument_name[], instrument_source[]; /* instrument name and filename */ extern char *instrument_exe; /* executable path = argv[0] or NULL */ extern char instrument_code[]; /* contains the initial 'instr' file */ #ifndef MC_ANCIENT_COMPATIBILITY extern int traceenabled, defaultmain; #endif #endif /* Useful macros ============================================================ */ /* SECTION: Dynamic Arrays */ typedef int* IArray1d; IArray1d create_iarr1d(int n); void destroy_iarr1d(IArray1d a); typedef int** IArray2d; IArray2d create_iarr2d(int nx, int ny); void destroy_iarr2d(IArray2d a); typedef int*** IArray3d; IArray3d create_iarr3d(int nx, int ny, int nz); void destroy_iarr3d(IArray3d a); typedef double* DArray1d; DArray1d create_darr1d(int n); void destroy_darr1d(DArray1d a); typedef double** DArray2d; DArray2d create_darr2d(int nx, int ny); void destroy_darr2d(DArray2d a); typedef double*** DArray3d; DArray3d create_darr3d(int nx, int ny, int nz); void destroy_darr3d(DArray3d a); /* MPI stuff */ #ifdef USE_MPI #include "mpi.h" #ifdef OMPI_MPI_H /* openmpi does not use signals: we may install our sighandler */ #ifndef OPENACC /* ... but only if we are not also running on GPU */ #undef NOSIGNALS #endif #endif /* * MPI_MASTER(i): * execution of i only on master node */ #define MPI_MASTER(statement) { \ if(mpi_node_rank == mpi_node_root)\ { statement; } \ } #ifndef MPI_REDUCE_BLOCKSIZE #define MPI_REDUCE_BLOCKSIZE 100000 #endif int mc_MPI_Sum(double* buf, long count); int mc_MPI_Send(void *sbuf, long count, MPI_Datatype dtype, int dest); int mc_MPI_Recv(void *rbuf, long count, MPI_Datatype dtype, int source); /* MPI_Finalize exits gracefully and should be preferred to MPI_Abort */ #define exit(code) do { \ MPI_Finalize(); \ exit(code); \ } while(0) #else /* !USE_MPI */ #define MPI_MASTER(instr) instr #endif /* USE_MPI */ #ifdef USE_MPI static int mpi_node_count; #endif #ifdef USE_THREADS /* user want threads */ #error Threading (USE_THREADS) support has been removed for very poor efficiency. Use MPI/SSH grid instead. #endif void mcset_ncount(unsigned long long count); /* wrapper to get mcncount */ #pragma acc routine unsigned long long int mcget_ncount(void); /* wrapper to set mcncount */ unsigned long long mcget_run_num(void); /* wrapper to get mcrun_num=0:mcncount-1 */ /* Following part is only embedded when not redundant with mccode.h ========= */ #ifndef MCCODE_H #ifndef NOSIGNALS #include char *mcsig_message; #define SIG_MESSAGE(msg) mcsig_message=(char *)(msg); #else #define SIG_MESSAGE(...) #endif /* !NOSIGNALS */ /* Useful macros and constants ============================================== */ #ifndef FLT_MAX #define FLT_MAX 3.40282347E+38F /* max decimal value of a "float" */ #endif #ifndef MIN #define MIN(a, b) (((a) < (b)) ? (a) : (b)) #endif #ifndef MAX #define MAX(a, b) (((a) > (b)) ? (a) : (b)) #endif #ifndef SQR #define SQR(x) ( (x) * (x) ) #endif #ifndef SIGN #define SIGN(x) (((x)>0.0)?(1):(-1)) #endif # ifndef M_E # define M_E 2.71828182845904523536 // e # endif # ifndef M_LOG2E # define M_LOG2E 1.44269504088896340736 // log2(e) # endif # ifndef M_LOG10E # define M_LOG10E 0.434294481903251827651 // log10(e) # endif # ifndef M_LN2 # define M_LN2 0.693147180559945309417 // ln(2) # endif # ifndef M_LN10 # define M_LN10 2.30258509299404568402 // ln(10) # endif # ifndef M_PI # define M_PI 3.14159265358979323846 // pi # endif # ifndef PI # define PI M_PI // pi - also used in some places # endif # ifndef M_PI_2 # define M_PI_2 1.57079632679489661923 // pi/2 # endif # ifndef M_PI_4 # define M_PI_4 0.785398163397448309616 // pi/4 # endif # ifndef M_1_PI # define M_1_PI 0.318309886183790671538 // 1/pi # endif # ifndef M_2_PI # define M_2_PI 0.636619772367581343076 // 2/pi # endif # ifndef M_2_SQRTPI # define M_2_SQRTPI 1.12837916709551257390 // 2/sqrt(pi) # endif # ifndef M_SQRT2 # define M_SQRT2 1.41421356237309504880 // sqrt(2) # endif # ifndef M_SQRT1_2 # define M_SQRT1_2 0.707106781186547524401 // 1/sqrt(2) # endif #define RAD2MIN ((180*60)/PI) #define MIN2RAD (PI/(180*60)) #define DEG2RAD (PI/180) #define RAD2DEG (180/PI) #define FWHM2RMS 0.424660900144 /* Convert between full-width-half-max and */ #define RMS2FWHM 2.35482004503 /* root-mean-square (standard deviation) */ #define HBAR 1.05457168e-34 /* [Js] h bar Planck constant CODATA 2002 */ #define MNEUTRON 1.67492728e-27 /* [kg] mass of neutron CODATA 2002 */ #define GRAVITY 9.81 /* [m/s^2] gravitational acceleration */ #define NA 6.02214179e23 /* [#atoms/g .mole] Avogadro's number*/ #define UNSET nan("0x6E6F74736574") int nans_match(double, double); int is_unset(double); int is_valid(double); int is_set(double); int all_unset(int n, ...); int all_set(int n, ...); int any_unset(int n, ...); int any_set(int n, ...); /* wrapper to get absolute and relative position of comp */ /* mccomp_posa and mccomp_posr are defined in McStas generated C code */ #define POS_A_COMP_INDEX(index) (instrument->_position_absolute[index]) #define POS_R_COMP_INDEX(index) (instrument->_position_relative[index]) /* setting parameters based COMP_GETPAR (returned as pointer) */ /* compname must be given as a string, type and par are symbols. */ #define COMP_GETPAR3(type, compname, par) \ &( ((_class_ ## type ##_parameters *) _getvar_parameters(compname))->par ) /* the body of this function depends on component instances, and is cogen'd */ void* _getvar_parameters(char* compname); int _getcomp_index(char* compname); /* Note: The two-stage approach to COMP_GETPAR is NOT redundant; without it, * after #define C sample, COMP_GETPAR(C,x) would refer to component C, not to * component sample. Such are the joys of ANSI C. * Anyway the usage of COMP_GETPAR requires that we use sometimes bare names... * NOTE: This can ONLY be used in instrument descriptions, not components. */ #define COMP_GETPAR2(comp, par) (_ ## comp ## _var._parameters.par) #define COMP_GETPAR(comp, par) COMP_GETPAR2(comp,par) #define INSTRUMENT_GETPAR(par) (_instrument_var._parameters.par) /* Current component name, index, position and orientation */ /* These macros work because, using class-based functions, "comp" is usually * the local variable of the active/current component. */ #define INDEX_CURRENT_COMP (_comp->_index) #define NAME_CURRENT_COMP (_comp->_name) #define TYPE_CURRENT_COMP (_comp->_type) #define POS_A_CURRENT_COMP (_comp->_position_absolute) #define POS_R_CURRENT_COMP (_comp->_position_relative) #define ROT_A_CURRENT_COMP (_comp->_rotation_absolute) #define ROT_R_CURRENT_COMP (_comp->_rotation_relative) #define NAME_INSTRUMENT (instrument->_name) /* MCDISPLAY/trace and debugging message sent to stdout */ #ifdef MC_TRACE_ENABLED #define DEBUG #endif #ifdef DEBUG #define DEBUG_INSTR() if(!mcdotrace); else { printf("INSTRUMENT:\n"); printf("Instrument '%s' (%s)\n", instrument_name, instrument_source); } #define DEBUG_COMPONENT(name,c,t) if(!mcdotrace); else {\ printf("COMPONENT: \"%s\"\n" \ "POS: %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g\n", \ name, c.x, c.y, c.z, t[0][0], t[0][1], t[0][2], \ t[1][0], t[1][1], t[1][2], t[2][0], t[2][1], t[2][2]); \ printf("Component %30s AT (%g,%g,%g)\n", name, c.x, c.y, c.z); } #define DEBUG_INSTR_END() if(!mcdotrace); else printf("INSTRUMENT END:\n"); #define DEBUG_ENTER() if(!mcdotrace); else printf("ENTER:\n"); #define DEBUG_COMP(c) if(!mcdotrace); else printf("COMP: \"%s\"\n", c); #define DEBUG_LEAVE() if(!mcdotrace); else printf("LEAVE:\n"); #define DEBUG_ABSORB() if(!mcdotrace); else printf("ABSORB:\n"); #else #define DEBUG_INSTR() #define DEBUG_COMPONENT(name,c,t) #define DEBUG_INSTR_END() #define DEBUG_ENTER() #define DEBUG_COMP(c) #define DEBUG_LEAVE() #define DEBUG_ABSORB() #endif // mcDEBUG_STATE and mcDEBUG_SCATTER are defined by mcstas-r.h and mcxtrace-r.h #ifdef TEST #define test_printf printf #else #define test_printf while(0) printf #endif /* send MCDISPLAY message to stdout to show gemoetry */ void mcdis_magnify(char *what); void mcdis_line(double x1, double y1, double z1, double x2, double y2, double z2); void mcdis_dashed_line(double x1, double y1, double z1, double x2, double y2, double z2, int n); void mcdis_multiline(int count, ...); void mcdis_rectangle(char* plane, double x, double y, double z, double width, double height); void mcdis_box(double x, double y, double z, double width, double height, double length, double thickness, double nx, double ny, double nz); void mcdis_circle(char *plane, double x, double y, double z, double r); void mcdis_Circle(double x, double y, double z, double r, double nx, double ny, double nz); void mcdis_cylinder( double x, double y, double z, double r, double height, double thickness, double nx, double ny, double nz); void mcdis_cone( double x, double y, double z, double r, double height, double nx, double ny, double nz); void mcdis_sphere(double x, double y, double z, double r); /* random number generation. ================================================ */ #if RNG_ALG == _RNG_ALG_MT // MT (currently not functional for GPU) # define MC_RAND_MAX ((uint32_t)0xffffffffUL) # define RANDSTATE_LEN 1 # define srandom(seed) mt_srandom_empty() # define random() mt_random() # define _random() mt_random() #elif RNG_ALG == _RNG_ALG_KISS // KISS # ifndef UINT64_MAX # define UINT64_MAX ((uint64_t)0xffffffffffffffffULL) # endif # define MC_RAND_MAX UINT64_MAX # define RANDSTATE_LEN 7 # define srandom(seed) kiss_srandom(_particle->randstate, seed) # define random() kiss_random(_particle->randstate) # define _random() kiss_random(state) #endif #pragma acc routine double _randnorm2(randstate_t* state); // Component writer interface #define randnorm() _randnorm2(_particle->randstate) // NOTE: can't use _randnorm on GPU #define rand01() _rand01(_particle->randstate) #define randpm1() _randpm1(_particle->randstate) #define rand0max(p1) _rand0max(p1, _particle->randstate) #define randminmax(p1, p2) _randminmax(p1, p2, _particle->randstate) #define randtriangle() _randtriangle(_particle->randstate) // Mersenne Twister rng uint32_t mt_random(void); void mt_srandom (uint32_t x); void mt_srandom_empty(); // KISS rng #pragma acc routine uint64_t *kiss_srandom(uint64_t state[7], uint64_t seed); #pragma acc routine uint64_t kiss_random(uint64_t state[7]); // Scrambler / hash function #pragma acc routine seq randstate_t _hash(randstate_t x); // internal RNG (transforms) interface #pragma acc routine double _rand01(randstate_t* state); #pragma acc routine double _randpm1(randstate_t* state); #pragma acc routine double _rand0max(double max, randstate_t* state); #pragma acc routine double _randminmax(double min, double max, randstate_t* state); #pragma acc routine double _randtriangle(randstate_t* state); #ifdef USE_OPENCL #include "opencl-lib.h" #include "opencl-lib.c" #endif #ifndef DANSE int init(void); int raytrace(_class_particle*); int save(FILE *); int finally(void); int display(void); #endif /* GPU related algorithms =================================================== */ /* * Divide-and-conquer strategy for parallel sort absorbed last. */ #ifdef FUNNEL long sort_absorb_last(_class_particle* particles, _class_particle* pbuffer, long len, long buffer_len, long flag_split, long* multiplier); #endif long sort_absorb_last_serial(_class_particle* particles, long len); /* simple vector algebra ==================================================== */ #define vec_prod(x, y, z, x1, y1, z1, x2, y2, z2) \ vec_prod_func(&x, &y, &z, x1, y1, z1, x2, y2, z2) #pragma acc routine seq mcstatic void vec_prod_func(double *x, double *y, double *z, double x1, double y1, double z1, double x2, double y2, double z2); #pragma acc routine seq mcstatic double scalar_prod( double x1, double y1, double z1, double x2, double y2, double z2); #pragma acc routine seq mcstatic void norm_func(double *x, double *y, double *z); #define NORM(x,y,z) norm_func(&x, &y, &z) #pragma acc routine seq void normal_vec(double *nx, double *ny, double *nz, double x, double y, double z); /** * Rotate the vector vx,vy,vz psi radians around the vector ax,ay,az * and put the result in x,y,z. */ #define rotate(x, y, z, vx, vy, vz, phi, ax, ay, az) \ do { \ double mcrt_tmpx = (ax), mcrt_tmpy = (ay), mcrt_tmpz = (az); \ double mcrt_vp, mcrt_vpx, mcrt_vpy, mcrt_vpz; \ double mcrt_vnx, mcrt_vny, mcrt_vnz, mcrt_vn1x, mcrt_vn1y, mcrt_vn1z; \ double mcrt_bx, mcrt_by, mcrt_bz; \ double mcrt_cos, mcrt_sin; \ NORM(mcrt_tmpx, mcrt_tmpy, mcrt_tmpz); \ mcrt_vp = scalar_prod((vx), (vy), (vz), mcrt_tmpx, mcrt_tmpy, mcrt_tmpz); \ mcrt_vpx = mcrt_vp*mcrt_tmpx; \ mcrt_vpy = mcrt_vp*mcrt_tmpy; \ mcrt_vpz = mcrt_vp*mcrt_tmpz; \ mcrt_vnx = (vx) - mcrt_vpx; \ mcrt_vny = (vy) - mcrt_vpy; \ mcrt_vnz = (vz) - mcrt_vpz; \ vec_prod(mcrt_bx, mcrt_by, mcrt_bz, \ mcrt_tmpx, mcrt_tmpy, mcrt_tmpz, mcrt_vnx, mcrt_vny, mcrt_vnz); \ mcrt_cos = cos((phi)); mcrt_sin = sin((phi)); \ mcrt_vn1x = mcrt_vnx*mcrt_cos + mcrt_bx*mcrt_sin; \ mcrt_vn1y = mcrt_vny*mcrt_cos + mcrt_by*mcrt_sin; \ mcrt_vn1z = mcrt_vnz*mcrt_cos + mcrt_bz*mcrt_sin; \ (x) = mcrt_vpx + mcrt_vn1x; \ (y) = mcrt_vpy + mcrt_vn1y; \ (z) = mcrt_vpz + mcrt_vn1z; \ } while(0) /** * Mirror (xyz) in the plane given by the point (rx,ry,rz) and normal (nx,ny,nz) * * TODO: This define is seemingly never used... */ #define mirror(x,y,z,rx,ry,rz,nx,ny,nz) \ do { \ double mcrt_tmpx= (nx), mcrt_tmpy = (ny), mcrt_tmpz = (nz); \ double mcrt_tmpt; \ NORM(mcrt_tmpx, mcrt_tmpy, mcrt_tmpz); \ mcrt_tmpt=scalar_prod((rx),(ry),(rz),mcrt_tmpx,mcrt_tmpy,mcrt_tmpz); \ (x) = rx -2 * mcrt_tmpt*mcrt_rmpx; \ (y) = ry -2 * mcrt_tmpt*mcrt_rmpy; \ (z) = rz -2 * mcrt_tmpt*mcrt_rmpz; \ } while (0) #pragma acc routine Coords coords_set(MCNUM x, MCNUM y, MCNUM z); #pragma acc routine Coords coords_get(Coords a, MCNUM *x, MCNUM *y, MCNUM *z); #pragma acc routine Coords coords_add(Coords a, Coords b); #pragma acc routine Coords coords_sub(Coords a, Coords b); #pragma acc routine Coords coords_neg(Coords a); #pragma acc routine Coords coords_scale(Coords b, double scale); #pragma acc routine double coords_sp(Coords a, Coords b); #pragma acc routine Coords coords_xp(Coords b, Coords c); #pragma acc routine double coords_len(Coords a); #pragma acc routine seq void coords_print(Coords a); #pragma acc routine seq mcstatic void coords_norm(Coords* c); #pragma acc routine seq void rot_set_rotation(Rotation t, double phx, double phy, double phz); #pragma acc routine seq int rot_test_identity(Rotation t); #pragma acc routine seq void rot_mul(Rotation t1, Rotation t2, Rotation t3); #pragma acc routine seq void rot_copy(Rotation dest, Rotation src); #pragma acc routine seq void rot_transpose(Rotation src, Rotation dst); #pragma acc routine seq Coords rot_apply(Rotation t, Coords a); #pragma acc routine seq void mccoordschange(Coords a, Rotation t, _class_particle *particle); #pragma acc routine seq void mccoordschange_polarisation(Rotation t, double *sx, double *sy, double *sz); double mcestimate_error(double N, double p1, double p2); void mcreadparams(void); /* this is now in mcstas-r.h and mcxtrace-r.h as the number of state parameters is no longer equal */ _class_particle mcgenstate(void); // trajectory/shape intersection routines #pragma acc routine seq int inside_rectangle(double, double, double, double); #pragma acc routine seq int box_intersect(double *dt_in, double *dt_out, double x, double y, double z, double vx, double vy, double vz, double dx, double dy, double dz); #pragma acc routine seq int cylinder_intersect(double *t0, double *t1, double x, double y, double z, double vx, double vy, double vz, double r, double h); #pragma acc routine seq int sphere_intersect(double *t0, double *t1, double x, double y, double z, double vx, double vy, double vz, double r); // second order equation roots #pragma acc routine seq int solve_2nd_order(double *t1, double *t2, double A, double B, double C); // random vector generation to shape // defines silently introducing _particle as the last argument #define randvec_target_circle(xo, yo, zo, solid_angle, xi, yi, zi, radius) \ _randvec_target_circle(xo, yo, zo, solid_angle, xi, yi, zi, radius, _particle) #define randvec_target_rect_angular(xo, yo, zo, solid_angle, xi, yi, zi, height, width, A) \ _randvec_target_rect_angular(xo, yo, zo, solid_angle, xi, yi, zi, height, width, A, _particle) #define randvec_target_rect_real(xo, yo, zo, solid_angle, xi, yi, zi, height, width, A, lx, ly, lz, order) \ _randvec_target_rect_real(xo, yo, zo, solid_angle, xi, yi, zi, height, width, A, lx, ly, lz, order, _particle) // defines forwarding to "inner" functions #define randvec_target_sphere randvec_target_circle #define randvec_target_rect(p0,p1,p2,p3,p4,p5,p6,p7,p8,p9) \ randvec_target_rect_real(p0,p1,p2,p3,p4,p5,p6,p7,p8,p9,0,0,0,1) // headers for randvec #pragma acc routine seq void _randvec_target_circle(double *xo, double *yo, double *zo, double *solid_angle, double xi, double yi, double zi, double radius, _class_particle* _particle); #pragma acc routine seq void _randvec_target_rect_angular(double *xo, double *yo, double *zo, double *solid_angle, double xi, double yi, double zi, double height, double width, Rotation A, _class_particle* _particle); #pragma acc routine seq void _randvec_target_rect_real(double *xo, double *yo, double *zo, double *solid_angle, double xi, double yi, double zi, double height, double width, Rotation A, double lx, double ly, double lz, int order, _class_particle* _particle); // this is the main() int mccode_main(int argc, char *argv[]); #endif /* !MCCODE_H */ #ifndef MCCODE_R_IO_H #define MCCODE_R_IO_H "$Revision$" #if (USE_NEXUS == 0) #undef USE_NEXUS #endif #ifndef CHAR_BUF_LENGTH #define CHAR_BUF_LENGTH 1024 #endif /* I/O section part ========================================================= */ /* ========================================================================== */ /* MCCODE_R_IO_C */ /* ========================================================================== */ /* main DETECTOR structure which stores most information to write to data files */ struct mcdetector_struct { char filename[CHAR_BUF_LENGTH]; /* file name of monitor */ double Position[3]; /* position of detector component*/ char position[CHAR_BUF_LENGTH]; /* position of detector component (string)*/ Rotation Rotation; /* position of detector component*/ char options[CHAR_BUF_LENGTH]; /* Monitor_nD style list-mode'options' (string)*/ char component[CHAR_BUF_LENGTH]; /* component instance name */ char nexuscomp[CHAR_BUF_LENGTH]; /* component naming in NeXus/HDF case */ char instrument[CHAR_BUF_LENGTH]; /* instrument name */ char type[CHAR_BUF_LENGTH]; /* data type, e.g. 0d, 1d, 2d, 3d */ char user[CHAR_BUF_LENGTH]; /* user name, e.g. HOME */ char date[CHAR_BUF_LENGTH]; /* date of simulation end/write time */ char title[CHAR_BUF_LENGTH]; /* title of detector */ char xlabel[CHAR_BUF_LENGTH]; /* X axis label */ char ylabel[CHAR_BUF_LENGTH]; /* Y axis label */ char zlabel[CHAR_BUF_LENGTH]; /* Z axis label */ char xvar[CHAR_BUF_LENGTH]; /* X variable name */ char yvar[CHAR_BUF_LENGTH]; /* Y variable name */ char zvar[CHAR_BUF_LENGTH]; /* Z variable name */ char ncount[CHAR_BUF_LENGTH]; /* number of events initially generated */ char limits[CHAR_BUF_LENGTH]; /* X Y Z limits, e.g. [xmin xmax ymin ymax zmin zmax] */ char variables[CHAR_BUF_LENGTH]; /* variables written into data block */ char statistics[CHAR_BUF_LENGTH]; /* center, mean and half width along axis */ char signal[CHAR_BUF_LENGTH]; /* min max and mean of signal (data block) */ char values[CHAR_BUF_LENGTH]; /* integrated values e.g. [I I_err N] */ double xmin,xmax; /* min max of axes */ double ymin,ymax; double zmin,zmax; double intensity; /* integrated values for data block */ double error; double events; double min; /* statistics for data block */ double max; double mean; double centerX; /* statistics for axes */ double halfwidthX; double centerY; double halfwidthY; int rank; /* dimensionaly of monitor, e.g. 0 1 2 3 */ char istransposed; /* flag to transpose matrix for some formats */ long m,n,p; /* dimensions of data block and along axes */ long date_l; /* same as date, but in sec since 1970 */ double *p0, *p1, *p2; /* pointers to saved data, NULL when freed */ char format[CHAR_BUF_LENGTH]; /* format for file generation */ }; typedef struct mcdetector_struct MCDETECTOR; static char *dirname = NULL; /* name of output directory */ static char *siminfo_name = "mccode"; /* default output sim file name */ char *mcformat = NULL; /* NULL (default) or a specific format */ /* file I/O definitions and function prototypes */ #ifndef MC_EMBEDDED_RUNTIME /* the mcstatic variables (from mccode-r.c) */ extern FILE * siminfo_file; /* handle to the output siminfo file */ extern int mcgravitation; /* flag to enable gravitation */ extern int mcdotrace; /* flag to print MCDISPLAY messages */ #else mcstatic FILE *siminfo_file = NULL; #endif /* I/O function prototypes ================================================== */ // from msysgit: https://code.google.com/p/msysgit/source/browse/compat/strcasestr.c char *strcasestr(const char *haystack, const char *needle); /* output functions */ MCDETECTOR mcdetector_out_0D(char *t, double p0, double p1, double p2, char *c, Coords pos, Rotation rot, int index); MCDETECTOR mcdetector_out_1D(char *t, char *xl, char *yl, char *xvar, double x1, double x2, long n, double *p0, double *p1, double *p2, char *f, char *c, Coords pos, Rotation rot, int index); MCDETECTOR mcdetector_out_2D(char *t, char *xl, char *yl, double x1, double x2, double y1, double y2, long m, long n, double *p0, double *p1, double *p2, char *f, char *c, Coords pos, Rotation rot, int index); MCDETECTOR mcdetector_out_list(char *t, char *xl, char *yl, long m, long n, double *p1, char *f, char *c, Coords posa, Rotation rot,char* options, int index); /* wrappers to output functions, that automatically set NAME and POSITION */ #define DETECTOR_OUT(p0,p1,p2) mcdetector_out_0D(NAME_CURRENT_COMP,p0,p1,p2,NAME_CURRENT_COMP,POS_A_CURRENT_COMP,ROT_A_CURRENT_COMP,INDEX_CURRENT_COMP) #define DETECTOR_OUT_0D(t,p0,p1,p2) mcdetector_out_0D(t,p0,p1,p2,NAME_CURRENT_COMP,POS_A_CURRENT_COMP,ROT_A_CURRENT_COMP,INDEX_CURRENT_COMP) #define DETECTOR_OUT_1D(t,xl,yl,xvar,x1,x2,n,p0,p1,p2,f) \ mcdetector_out_1D(t,xl,yl,xvar,x1,x2,n,p0,p1,p2,f,NAME_CURRENT_COMP,POS_A_CURRENT_COMP,ROT_A_CURRENT_COMP,INDEX_CURRENT_COMP) #define DETECTOR_OUT_2D(t,xl,yl,x1,x2,y1,y2,m,n,p0,p1,p2,f) \ mcdetector_out_2D(t,xl,yl,x1,x2,y1,y2,m,n,p0,p1,p2,f,NAME_CURRENT_COMP,POS_A_CURRENT_COMP,ROT_A_CURRENT_COMP,INDEX_CURRENT_COMP) #ifdef USE_NEXUS #include "napi.h" NXhandle nxhandle; #endif #endif /* ndef MCCODE_R_IO_H */ #endif /* MCCODE_R_H */ /* End of file "mccode-r.h". */ /* embedding file "mcxtrace-r.h" */ /******************************************************************************* * * McXtrace, X-ray ray-tracing package * Copyright (C) 1997-2009, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Synchrotron SOLEIL, Saint-Aubin, France * * Runtime: share/mcxtrace-r.h * * %Identification * Written by: KN * Date: Aug 29, 1997 * Release: McXtrace X.Y * Version: $Revision$ * * Runtime system header for McXtrace. * * In order to use this library as an external library, the following variables * and macros must be declared (see details in the code) * * struct mcinputtable_struct mcinputtable[]; * int mcnumipar; * char instrument_name[], instrument_source[]; * int traceenabled, defaultmain; * extern MCNUM mccomp_storein[]; * extern MCNUM instrument.counter_AbsorbProp[]; * extern MCNUM mcScattered; * #define MCCODE_STRING "the McXtrace version" * * Usage: Automatically embbeded in the c code. * *******************************************************************************/ #ifndef MCXTRACE_R_H #define MCXTRACE_R_H "$Revision$" /* Following part is only embedded when not redundant with mcxtrace.h */ #ifndef MCCODE_H #define CELE 1.602176487e-19 /* [C] Elementary charge CODATA 2006*/ #define MELECTRON 9.10938291e-31 /* [kg] Electron mass CODATA 2006*/ #define M_C 299792458 /* [m/s] speed of light CODATA 2006*/ #define E2K 0.506773091264796 /* Convert k[1/AA] to E [keV] (CELE/(HBAR*M_C)*1e-10)*1e3 */ #define K2E 1.97326972808327 /*Convert E[keV] to k[1/AA] (1e10*M_C*HBAR/CELE)/1e3 */ #define RE 2.8179402894e-5 /*[AA] Thomson scattering length*/ #define ALPHA 7.2973525698e-3 /*[ ] Fine structure constant CODATA 2006*/ #define SCATTER0 do {DEBUG_SCATTER(); SCATTERED++;} while(0) #define SCATTER SCATTER0 #define JUMPTOCOMP(comp) mcphoton->_index = INDEX_COMP(comp); /*magnet stuff is probably redundant*/ #define MAGNET_ON \ do { \ } while(0) #define MAGNET_OFF \ do { \ } while(0) #define ALLOW_BACKPROP \ do { \ allow_backprop = 1; \ } while(0) #define DISALLOW_BACKPROP \ do { \ allow_backprop = 0; \ } while(0) #define PROP_MAGNET(dt) \ do { \ /* change coordinates from local system to magnet system */ \ Rotation rotLM, rotTemp; \ Coords posLM = coords_sub(POS_A_CURRENT_COMP, mcMagnetPos); \ rot_transpose(ROT_A_CURRENT_COMP, rotTemp); \ rot_mul(rotTemp, mcMagnetRot, rotLM); \ mcMagnetPrecession(mcnlx, mcnly, mcnlz, mcnlt, mcnlvx, mcnlvy, mcnlvz, \ &mcnlsx, &mcnlsy, &mcnlsz, dt, posLM, rotLM); \ } while(0) #define mcPROP_DT(dt) \ do { \ if (mcMagnet && dt > 0) PROP_MAGNET(dt);\ x += kx*(dt); \ y += ky*(dt); \ z += kz*(dt); \ t += (dt); \ if (isnan(p) || isinf(p)) { instrument->counter_AbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }\ } while(0) /*An interrupt a'la mcMagnet should be inserted below if there's non-zero permeability*/ /*perhaps some kind of PROP_POL*/ #define mcPROP_DL(dl) \ do { \ MCNUM mc_k=sqrt( scalar_prod(kx,ky,kz,kx,ky,kz));\ x = x+ (dl)*kx/mc_k;\ y = y+ (dl)*ky/mc_k;\ z = z+ (dl)*kz/mc_k;\ phi = phi+ 1e10*mc_k*(dl);\ t = t + (dl)/((double)M_C);\ }while (0) /* this had to be taken out to avoid error 700. This may need to be atomic, but probably should be somewhere else.*/ /* if (isnan(p) || isinf(p)) { instrument->counter_AbsorbProp[INDEX_CURRENT_COMP] = instrument->counter_AbsorbProp[INDEX_CURRENT_COMP] + 1; ABSORB; }\ */ /*gravity not an issue with x-rays*/ /* ADD: E. Farhi, Aug 6th, 2001 PROP_GRAV_DT propagation with acceleration. */ #define PROP_GRAV_DT(dt, Ax, Ay, Az) \ do { \ if(dt < 0 && allow_backprop == 0) { instrument->counter_AbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }\ if (mcMagnet) /*printf("Spin precession gravity\n")*/; \ x += vx*(dt) + (Ax)*(dt)*(dt)/2; \ y += vy*(dt) + (Ay)*(dt)*(dt)/2; \ z += vz*(dt) + (Az)*(dt)*(dt)/2; \ vx += (Ax)*(dt); \ vy += (Ay)*(dt); \ vz += (Az)*(dt); \ t += (dt); \ DISALLOW_BACKPROP;\ } while(0) /*adapted from PROP_DT(dt)*/ #define PROP_DL(dl) \ do{ \ if(dl < 0) { RESTORE=1; ABSORB; }; \ mcPROP_DL(dl); \ DISALLOW_BACKPROP;\ } while (0) #define PROP_DT(dt) \ do { \ if(dt < 0) { RESTORE=1; ABSORB; }; \ if (mcgravitation) { Coords mcLocG; double mc_gx, mc_gy, mc_gz; \ mcLocG = rot_apply(ROT_A_CURRENT_COMP, coords_set(0,-GRAVITY,0)); \ coords_get(mcLocG, &mc_gx, &mc_gy, &mc_gz); \ PROP_GRAV_DT(dt, mc_gx, mc_gy, mc_gz); } \ else mcPROP_DT(dt); \ DISALLOW_BACKPROP;\ } while(0) #define PROP_X0 \ do { \ mcPROP_X0; \ DISALLOW_BACKPROP; \ }while(0) #define mcPROP_X0 \ do { \ MCNUM mc_dl,mc_k; \ if(kx == 0) { ABSORB; }; \ mc_k=sqrt(scalar_prod(kx,ky,kz,kx,ky,kz)); \ mc_dl= -x * mc_k / kx; \ if(mc_dl<0 && allow_backprop==0) { ABSORB; };\ PROP_DL(mc_dl); \ } while(0) #define PROP_Y0 \ do { \ mcPROP_Y0; \ DISALLOW_BACKPROP; \ }while(0) #define mcPROP_Y0 \ do { \ MCNUM mc_dl,mc_k; \ if(ky == 0) { ABSORB; }; \ mc_k=sqrt(scalar_prod(kx,ky,kz,kx,ky,kz)); \ mc_dl= -y * mc_k / ky; \ if(mc_dl<0 && allow_backprop==0) { ABSORB; };\ PROP_DL(mc_dl); \ } while(0) #define PROP_Z0 \ do { \ mcPROP_Z0; \ DISALLOW_BACKPROP; \ }while(0) #define mcPROP_Z0 \ do { \ MCNUM mc_dl,mc_k; \ if(kz == 0) { ABSORB; }; \ mc_k=sqrt(scalar_prod(kx,ky,kz,kx,ky,kz)); \ mc_dl= -z * mc_k / kz; \ if(mc_dl<0 && allow_backprop==0) { ABSORB; };\ PROP_DL(mc_dl); \ } while(0) #ifdef DEBUG #define DEBUG_STATE() if(!mcdotrace); else \ printf("STATE: %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g\n", \ x,y,z,kx,ky,kz,phi,t,Ex,Ey,Ez,p); #define DEBUG_SCATTER() if(!mcdotrace); else \ printf("SCATTER: %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g\n", \ x,y,z,kx,ky,kz,phi,t,Ex,Ey,Ez,p); #else #define DEBUG_STATE() #define DEBUG_SCATTER() #endif #endif /* !MCCODE_H */ #endif /* MCXTRACE_R_H */ /* End of file "mcxtrace-r.h". */ /* embedding file "mccode-r.c" */ /******************************************************************************* * * McCode, neutron/xray ray-tracing package * Copyright (C) 1997-2009, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Runtime: share/mccode-r.c * * %Identification * Written by: KN * Date: Aug 29, 1997 * Release: McStas X.Y/McXtrace X.Y * Version: $Revision$ * * Runtime system for McStas and McXtrace. * Embedded within instrument in runtime mode. * Contains SECTIONS: * MPI handling (sum, send, recv) * format definitions * I/O * mcdisplay support * random numbers * coordinates handling * vectors math (solve 2nd order, normals, randvec...) * parameter handling * signal and main handlers * * Usage: Automatically embbeded in the c code whenever required. * * $Id$ * *******************************************************************************/ /******************************************************************************* * The I/O format definitions and functions *******************************************************************************/ /** Include header files to avoid implicit declarations (not allowed on LLVM) */ #include #include #include #include // UNIX specific headers (non-Windows) #if defined(__unix__) || defined(__APPLE__) #include #include #endif #ifndef DANSE #ifdef MC_ANCIENT_COMPATIBILITY int traceenabled = 0; int defaultmain = 0; #endif /* else defined directly in the McCode generated C code */ static long mcseed = 0; /* seed for random generator */ #pragma acc declare create ( mcseed ) static long mcstartdate = 0; /* start simulation time */ static int mcdisable_output_files = 0; /* --no-output-files */ mcstatic int mcgravitation = 0; /* use gravitation flag, for PROP macros */ mcstatic int mcusedefaults = 0; /* assume default value for all parameters */ mcstatic int mcappend = 0; /* flag to allow append mode on datasets/directories */ mcstatic int mcdotrace = 0; /* flag for --trace and messages for DISPLAY */ mcstatic int mcnexus_embed_idf = 0; /* flag to embed xml-formatted IDF file for Mantid */ #pragma acc declare create ( mcdotrace ) int mcallowbackprop = 0; /* flag to enable negative/backprop */ /* OpenACC-related segmentation parameters: */ int vecsize = 128; int numgangs = 7813; long gpu_innerloop = 2147483647; /* Monitor_nD list/buffer-size default */ /* Starting value may be defined using -DND_BUFFER=N */ /* Can further be controlled dynamically using --bufsiz input */ long MONND_BUFSIZ = 10000000; #ifdef ND_BUFFER MONND_BUFSIZ = ND_BUFFER; #endif /* Number of particle histories to simulate. */ #ifdef NEUTRONICS mcstatic unsigned long long int mcncount = 1; mcstatic unsigned long long int mcrun_num = 0; #else #ifdef MCDEFAULT_NCOUNT mcstatic unsigned long long int mcncount = MCDEFAULT_NCOUNT; #else mcstatic unsigned long long int mcncount = 1000000; #endif #pragma acc declare create ( mcncount ) mcstatic unsigned long long int mcrun_num = 0; #pragma acc declare create ( mcrun_num ) #endif /* NEUTRONICS */ #else #include "mcstas-globals.h" #endif /* !DANSE */ #ifndef NX_COMPRESSION #define NX_COMPRESSION NX_COMP_NONE #endif /* String nullification on GPU and other replacements */ #ifdef OPENACC int noprintf() { return 0; } int str_comp(char *str1, char *str2) { while (*str1 && *str1 == *str2) { str1++; str2++; } return (*str1 - *str2); } size_t str_len(const char *s) { size_t len = 0; if(s != NULL) { while(*s != '\0') { ++len; ++s; } } return len; } #endif /* SECTION: Predefine (component) parameters ================================= */ int nans_match(double a, double b){ return (*(uint64_t*)&a == *(uint64_t*)&b); } int is_unset(double x){ return nans_match(x, UNSET); } int is_set(double x){ return !nans_match(x, UNSET); } int is_valid(double x){ return !isnan(x)||is_unset(x); } int all_unset(int n, ...){ va_list ptr; va_start(ptr, n); int ret=1; for (int i=0; i count-1) length=count-offset; else length=MPI_REDUCE_BLOCKSIZE; if (MPI_Allreduce((double*)(sbuf+offset), (double*)(rbuf+offset), length, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD) != MPI_SUCCESS) return MPI_ERR_COUNT; offset += length; } for (i=0; i count-1) length=count-offset; else length=MPI_REDUCE_BLOCKSIZE; if (MPI_Send((void*)((char*)sbuf+offset*dsize), length, dtype, dest, tag++, MPI_COMM_WORLD) != MPI_SUCCESS) return MPI_ERR_COUNT; offset += length; } return MPI_SUCCESS; } /* mc_MPI_Send */ /******************************************************************************* * mc_MPI_Recv: Receives arrays from MPI nodes by blocks to avoid buffer limit * the buffer must have been allocated previously. *******************************************************************************/ int mc_MPI_Recv(void *sbuf, long count, MPI_Datatype dtype, int source) { int dsize; long offset=0; int tag=1; int length=MPI_REDUCE_BLOCKSIZE; /* defined in mccode-r.h */ if (!sbuf || count <= 0) return(MPI_SUCCESS); /* nothing to recv */ MPI_Type_size(dtype, &dsize); while (offset < count) { if (offset+length > count-1) length=count-offset; else length=MPI_REDUCE_BLOCKSIZE; if (MPI_Recv((void*)((char*)sbuf+offset*dsize), length, dtype, source, tag++, MPI_COMM_WORLD, MPI_STATUS_IGNORE) != MPI_SUCCESS) return MPI_ERR_COUNT; offset += length; } return MPI_SUCCESS; } /* mc_MPI_Recv */ #endif /* USE_MPI */ /* SECTION: parameters handling ============================================= */ /* Instrument input parameter type handling. */ /******************************************************************************* * mcparm_double: extract double value from 's' into 'vptr' *******************************************************************************/ static int mcparm_double(char *s, void *vptr) { char *p; double *v = (double *)vptr; if (!s) { *v = 0; return(1); } *v = strtod(s, &p); if(*s == '\0' || (p != NULL && *p != '\0') || errno == ERANGE) return 0; /* Failed */ else return 1; /* Success */ } /******************************************************************************* * mcparminfo_double: display parameter type double *******************************************************************************/ static char * mcparminfo_double(char *parmname) { return "double"; } /******************************************************************************* * mcparmerror_double: display error message when failed extract double *******************************************************************************/ static void mcparmerror_double(char *parm, char *val) { fprintf(stderr, "Error: Invalid value '%s' for floating point parameter %s (mcparmerror_double)\n", val, parm); } /******************************************************************************* * mcparmprinter_double: convert double to string *******************************************************************************/ static void mcparmprinter_double(char *f, void *vptr) { double *v = (double *)vptr; sprintf(f, "%g", *v); } /******************************************************************************* * mcparm_int: extract int value from 's' into 'vptr' *******************************************************************************/ static int mcparm_int(char *s, void *vptr) { char *p; int *v = (int *)vptr; long x; if (!s) { *v = 0; return(1); } *v = 0; x = strtol(s, &p, 10); if(x < INT_MIN || x > INT_MAX) return 0; /* Under/overflow */ *v = x; if(*s == '\0' || (p != NULL && *p != '\0') || errno == ERANGE) return 0; /* Failed */ else return 1; /* Success */ } /******************************************************************************* * mcparminfo_int: display parameter type int *******************************************************************************/ static char * mcparminfo_int(char *parmname) { return "int"; } /******************************************************************************* * mcparmerror_int: display error message when failed extract int *******************************************************************************/ static void mcparmerror_int(char *parm, char *val) { fprintf(stderr, "Error: Invalid value '%s' for integer parameter %s (mcparmerror_int)\n", val, parm); } /******************************************************************************* * mcparmprinter_int: convert int to string *******************************************************************************/ static void mcparmprinter_int(char *f, void *vptr) { int *v = (int *)vptr; sprintf(f, "%d", *v); } /******************************************************************************* * mcparm_string: extract char* value from 's' into 'vptr' (copy) *******************************************************************************/ static int mcparm_string(char *s, void *vptr) { char **v = (char **)vptr; if (!s) { *v = NULL; return(1); } *v = (char *)malloc(strlen(s) + 1); if(*v == NULL) { exit(-fprintf(stderr, "Error: Out of memory %li (mcparm_string).\n", (long)strlen(s) + 1)); } strcpy(*v, s); return 1; /* Success */ } /******************************************************************************* * mcparminfo_string: display parameter type string *******************************************************************************/ static char * mcparminfo_string(char *parmname) { return "string"; } /******************************************************************************* * mcparmerror_string: display error message when failed extract string *******************************************************************************/ static void mcparmerror_string(char *parm, char *val) { fprintf(stderr, "Error: Invalid value '%s' for string parameter %s (mcparmerror_string)\n", val, parm); } /******************************************************************************* * mcparmprinter_string: convert string to string (including esc chars) *******************************************************************************/ static void mcparmprinter_string(char *f, void *vptr) { char **v = (char **)vptr; char *p; if (!*v) { *f='\0'; return; } strcpy(f, ""); for(p = *v; *p != '\0'; p++) { switch(*p) { case '\n': strcat(f, "\\n"); break; case '\r': strcat(f, "\\r"); break; case '"': strcat(f, "\\\""); break; case '\\': strcat(f, "\\\\"); break; default: strncat(f, p, 1); } } /* strcat(f, "\""); */ } /* mcparmprinter_string */ /* now we may define the parameter structure, using previous functions */ static struct { int (*getparm)(char *, void *); char * (*parminfo)(char *); void (*error)(char *, char *); void (*printer)(char *, void *); } mcinputtypes[] = { { mcparm_int, mcparminfo_int, mcparmerror_int, mcparmprinter_int }, { mcparm_string, mcparminfo_string, mcparmerror_string, mcparmprinter_string }, { mcparm_string, mcparminfo_string, mcparmerror_string, mcparmprinter_string }, { mcparm_double, mcparminfo_double, mcparmerror_double, mcparmprinter_double }, { mcparm_double, mcparminfo_double, mcparmerror_double, mcparmprinter_double } }; /******************************************************************************* * mcestimate_error: compute sigma from N,p,p2 in Gaussian large numbers approx *******************************************************************************/ double mcestimate_error(double N, double p1, double p2) { double pmean, n1; if(N <= 1) return p1; pmean = p1 / N; n1 = N - 1; /* Note: underflow may cause p2 to become zero; the fabs() below guards against this. */ return sqrt((N/n1)*fabs(p2 - pmean*pmean)); } double (*mcestimate_error_p) (double V2, double psum, double p2sum)=mcestimate_error; /* ========================================================================== */ /* MCCODE_R_IO_C */ /* ========================================================================== */ #ifndef MCCODE_R_IO_C #define MCCODE_R_IO_C "$Revision$" /* SECTION: file i/o handling ================================================ */ #ifndef HAVE_STRCASESTR // from msysgit: https://code.google.com/p/msysgit/source/browse/compat/strcasestr.c char *strcasestr(const char *haystack, const char *needle) { int nlen = strlen(needle); int hlen = strlen(haystack) - nlen + 1; int i; for (i = 0; i < hlen; i++) { int j; for (j = 0; j < nlen; j++) { unsigned char c1 = haystack[i+j]; unsigned char c2 = needle[j]; if (toupper(c1) != toupper(c2)) goto next; } return (char *) haystack + i; next: ; } return NULL; } #endif #ifndef HAVE_STRCASECMP int strcasecmp( const char *s1, const char *s2 ) { int c1, c2; do { c1 = tolower( (unsigned char) *s1++ ); c2 = tolower( (unsigned char) *s2++ ); } while (c1 == c2 && c1 != 0); return c2 > c1 ? -1 : c1 > c2; } #endif #ifndef STRACPY /* this is a replacement to strncpy, but ensures that the copy ends with NULL */ /* http://stracpy.blogspot.fr/2011/04/stracpy-strncpy-replacement.html */ #define STRACPY char *stracpy(char *destination, const char *source, size_t amount) { if (!destination || !source || !amount) return(NULL); while(amount--) if((*destination++ = *source++) == '\0') break; *destination = '\0'; return destination; } #endif /******************************************************************************* * mcfull_file: allocates a full file name=dirname+file. Catenate extension if missing. *******************************************************************************/ char *mcfull_file(char *name, char *ext) { int dirlen=0; char *mem =NULL; dirlen = dirname ? strlen(dirname) : 0; mem = (char*)malloc(dirlen + strlen(name) + CHAR_BUF_LENGTH); if(!mem) { exit(-fprintf(stderr, "Error: Out of memory %li (mcfull_file)\n", (long)(dirlen + strlen(name) + 256))); } strcpy(mem, ""); /* prepend directory name to path if name does not contain a path */ if (dirlen > 0 && !strchr(name, MC_PATHSEP_C)) { strcat(mem, dirname); strcat(mem, MC_PATHSEP_S); } /* dirlen */ strcat(mem, name); if (!strchr(name, '.') && ext && strlen(ext)) { /* add extension if not in file name already */ strcat(mem, "."); strcat(mem, ext); } return(mem); } /* mcfull_file */ /******************************************************************************* * mcnew_file: opens a new file within dirname if non NULL * the file is opened in "a" (append, create if does not exist) * the extension 'ext' is added if the file name does not include one. * the last argument is set to 0 if file did not exist, else to 1. *******************************************************************************/ FILE *mcnew_file(char *name, char *ext, int *exists) { char *mem; FILE *file=NULL; if (!name || strlen(name) == 0 || mcdisable_output_files) return(NULL); mem = mcfull_file(name, ext); /* create dirname/name.ext */ /* check for existence */ file = fopen(mem, "r"); /* for reading -> fails if does not exist */ if (file) { fclose(file); *exists=1; } else *exists=0; /* open the file for writing/appending */ #ifdef USE_NEXUS if (mcformat && strcasestr(mcformat, "NeXus")) { /* NXhandle nxhandle is defined in the .h with USE_NEXUS */ NXaccess mode = (*exists ? NXACC_CREATE5 | NXACC_RDWR : NXACC_CREATE5); if (NXopen(mem, mode, &nxhandle) != NX_OK) file = NULL; else file = (FILE*)&nxhandle; /* to make it non NULL */ } else #endif file = fopen(mem, "a+"); if(!file) fprintf(stderr, "Warning: could not open output file '%s' for %s (mcnew_file)\n", mem, *exists ? "append" : "create"); free(mem); return file; } /* mcnew_file */ /******************************************************************************* * mcdetector_statistics: compute detector statistics, error bars, [x I I_err N] 1D * RETURN: updated detector structure * Used by: detector_import *******************************************************************************/ MCDETECTOR mcdetector_statistics( MCDETECTOR detector) { if (!detector.p1 || !detector.m) return(detector); /* compute statistics and update MCDETECTOR structure ===================== */ double sum_z = 0, min_z = 0, max_z = 0; double fmon_x =0, smon_x = 0, fmon_y =0, smon_y=0, mean_z=0; double Nsum=0, P2sum=0; double sum_xz = 0, sum_yz = 0, sum_x = 0, sum_y = 0, sum_x2z = 0, sum_y2z = 0; int i,j; char hasnan=0, hasinf=0; char israw = ((char*)strcasestr(detector.format,"raw") != NULL); double *this_p1=NULL; /* new 1D McCode array [x I E N]. Freed after writing data */ /* if McCode/PGPLOT and rank==1 we create a new m*4 data block=[x I E N] */ if (detector.rank == 1 && strcasestr(detector.format,"McCode")) { this_p1 = (double *)calloc(detector.m*detector.n*detector.p*4, sizeof(double)); if (!this_p1) exit(-fprintf(stderr, "Error: Out of memory creating %zi 1D " MCCODE_STRING " data set for file '%s' (detector_import)\n", detector.m*detector.n*detector.p*4*sizeof(double*), detector.filename)); } max_z = min_z = detector.p1[0]; /* compute sum and moments (not for lists) */ if (!strcasestr(detector.format,"list") && detector.m) for(j = 0; j < detector.n*detector.p; j++) { for(i = 0; i < detector.m; i++) { double x,y,z; double N, E; long index= !detector.istransposed ? i*detector.n*detector.p + j : i+j*detector.m; char hasnaninf=0; if (detector.m) x = detector.xmin + (i + 0.5)/detector.m*(detector.xmax - detector.xmin); else x = 0; if (detector.n && detector.p) y = detector.ymin + (j + 0.5)/detector.n/detector.p*(detector.ymax - detector.ymin); else y = 0; z = detector.p1[index]; N = detector.p0 ? detector.p0[index] : 1; E = detector.p2 ? detector.p2[index] : 0; if (detector.p2 && !israw) detector.p2[index] = (*mcestimate_error_p)(detector.p0[index],detector.p1[index],detector.p2[index]); /* set sigma */ if (detector.rank == 1 && this_p1 && strcasestr(detector.format,"McCode")) { /* fill-in 1D McCode array [x I E N] */ this_p1[index*4] = x; this_p1[index*4+1] = z; this_p1[index*4+2] = detector.p2 ? detector.p2[index] : 0; this_p1[index*4+3] = N; } if (isnan(z) || isnan(E) || isnan(N)) hasnaninf=hasnan=1; if (isinf(z) || isinf(E) || isinf(N)) hasnaninf=hasinf=1; /* compute stats integrals */ if (!hasnaninf) { sum_xz += x*z; sum_yz += y*z; sum_x += x; sum_y += y; sum_z += z; sum_x2z += x*x*z; sum_y2z += y*y*z; if (z > max_z) max_z = z; if (z < min_z) min_z = z; Nsum += N; P2sum += E; } } } /* for j */ /* compute 1st and 2nd moments. For lists, sum_z=0 so this is skipped. */ if (sum_z && detector.n*detector.m*detector.p) { fmon_x = sum_xz/sum_z; fmon_y = sum_yz/sum_z; smon_x = sum_x2z/sum_z-fmon_x*fmon_x; smon_x = smon_x > 0 ? sqrt(smon_x) : 0; smon_y = sum_y2z/sum_z-fmon_y*fmon_y; smon_y = smon_y > 0 ? sqrt(smon_y) : 0; mean_z = sum_z/detector.n/detector.m/detector.p; } /* store statistics into detector */ detector.intensity = sum_z; detector.error = Nsum ? (*mcestimate_error_p)(Nsum, sum_z, P2sum) : 0; detector.events = Nsum; detector.min = min_z; detector.max = max_z; detector.mean = mean_z; detector.centerX = fmon_x; detector.halfwidthX= smon_x; detector.centerY = fmon_y; detector.halfwidthY= smon_y; /* if McCode/PGPLOT and rank==1 replace p1 with new m*4 1D McCode and clear others */ if (detector.rank == 1 && this_p1 && strcasestr(detector.format,"McCode")) { detector.p1 = this_p1; detector.n = detector.m; detector.m = 4; detector.p0 = detector.p2 = NULL; detector.istransposed = 1; } if (detector.n*detector.m*detector.p > 1) snprintf(detector.signal, CHAR_BUF_LENGTH, "Min=%g; Max=%g; Mean=%g;", detector.min, detector.max, detector.mean); else strcpy(detector.signal, "None"); snprintf(detector.values, CHAR_BUF_LENGTH, "%g %g %g", detector.intensity, detector.error, detector.events); switch (detector.rank) { case 1: snprintf(detector.statistics, CHAR_BUF_LENGTH, "X0=%g; dX=%g;", detector.centerX, detector.halfwidthX); break; case 2: case 3: snprintf(detector.statistics, CHAR_BUF_LENGTH, "X0=%g; dX=%g; Y0=%g; dY=%g;", detector.centerX, detector.halfwidthX, detector.centerY, detector.halfwidthY); break; default: strcpy(detector.statistics, "None"); } if (hasnan) printf("WARNING: Nan detected in component/file %s %s\n", detector.component, strlen(detector.filename) ? detector.filename : ""); if (hasinf) printf("WARNING: Inf detected in component/file %s %s\n", detector.component, strlen(detector.filename) ? detector.filename : ""); return(detector); } /* mcdetector_statistics */ /******************************************************************************* * detector_import: build detector structure, merge non-lists from MPI * compute basic stat, write "Detector:" line * RETURN: detector structure. Invalid data if detector.p1 == NULL * Invalid detector sets m=0 and filename="" * Simulation data sets m=0 and filename=siminfo_name * This function is equivalent to the old 'mcdetector_out', returning a structure *******************************************************************************/ MCDETECTOR detector_import( char *format, char *component, char *title, long m, long n, long p, char *xlabel, char *ylabel, char *zlabel, char *xvar, char *yvar, char *zvar, double x1, double x2, double y1, double y2, double z1, double z2, char *filename, double *p0, double *p1, double *p2, Coords position, Rotation rotation, int index) { time_t t; /* for detector.date */ long date_l; /* date as a long number */ char istransposed=0; char c[CHAR_BUF_LENGTH]; /* temp var for signal label */ MCDETECTOR detector; /* build MCDETECTOR structure ============================================= */ /* make sure we do not have NULL for char fields */ /* these also apply to simfile */ strncpy (detector.filename, filename ? filename : "", CHAR_BUF_LENGTH); strncpy (detector.format, format ? format : "McCode" , CHAR_BUF_LENGTH); /* add extension if missing */ if (strlen(detector.filename) && !strchr(detector.filename, '.')) { /* add extension if not in file name already */ strcat(detector.filename, ".dat"); } strncpy (detector.component, component ? component : MCCODE_STRING " component", CHAR_BUF_LENGTH); #ifdef USE_NEXUS char pref[5]; if (index-1 < 10) { sprintf(pref,"000"); } else if (index-1 < 100) { sprintf(pref,"00"); } else if (index-1 < 1000) { sprintf(pref,"0"); } else if (index-1 < 10000) { sprintf(pref,""); } else { fprintf(stderr,"Error, no support for > 10000 comps at the moment!\n"); exit(-1); } sprintf(detector.nexuscomp,"%s%d_%s",pref,index-1,detector.component); #endif snprintf(detector.instrument, CHAR_BUF_LENGTH, "%s (%s)", instrument_name, instrument_source); snprintf(detector.user, CHAR_BUF_LENGTH, "%s on %s", getenv("USER") ? getenv("USER") : MCCODE_NAME, getenv("HOST") ? getenv("HOST") : "localhost"); time(&t); /* get current write time */ date_l = (long)t; /* same but as a long */ snprintf(detector.date, CHAR_BUF_LENGTH, "%s", ctime(&t)); if (strlen(detector.date)) detector.date[strlen(detector.date)-1] = '\0'; /* remove last \n in date */ detector.date_l = date_l; if (!mcget_run_num() || mcget_run_num() >= mcget_ncount()) snprintf(detector.ncount, CHAR_BUF_LENGTH, "%llu", mcget_ncount() #ifdef USE_MPI *mpi_node_count #endif ); else snprintf(detector.ncount, CHAR_BUF_LENGTH, "%g/%g", (double)mcget_run_num(), (double)mcget_ncount()); detector.p0 = p0; detector.p1 = p1; detector.p2 = p2; /* handle transposition (not for NeXus) */ if (!strcasestr(detector.format, "NeXus")) { if (m<0 || n<0 || p<0) istransposed = !istransposed; if (strcasestr(detector.format, "transpose")) istransposed = !istransposed; if (istransposed) { /* do the swap once for all */ long i=m; m=n; n=i; } } m=labs(m); n=labs(n); p=labs(p); /* make sure dimensions are positive */ detector.istransposed = istransposed; /* determine detector rank (dimensionality) */ if (!m || !n || !p || !p1) detector.rank = 4; /* invalid: exit with m=0 filename="" */ else if (m*n*p == 1) detector.rank = 0; /* 0D */ else if (n == 1 || m == 1) detector.rank = 1; /* 1D */ else if (p == 1) detector.rank = 2; /* 2D */ else detector.rank = 3; /* 3D */ /* from rank, set type */ switch (detector.rank) { case 0: strcpy(detector.type, "array_0d"); m=n=p=1; break; case 1: snprintf(detector.type, CHAR_BUF_LENGTH, "array_1d(%ld)", m*n*p); m *= n*p; n=p=1; break; case 2: snprintf(detector.type, CHAR_BUF_LENGTH, "array_2d(%ld, %ld)", m, n*p); n *= p; p=1; break; case 3: snprintf(detector.type, CHAR_BUF_LENGTH, "array_3d(%ld, %ld, %ld)", m, n, p); break; default: m=0; strcpy(detector.type, ""); strcpy(detector.filename, "");/* invalid */ } detector.m = m; detector.n = n; detector.p = p; /* these only apply to detector files ===================================== */ detector.Position[0]=position.x; detector.Position[1]=position.y; detector.Position[2]=position.z; rot_copy(detector.Rotation,rotation); snprintf(detector.position, CHAR_BUF_LENGTH, "%g %g %g", position.x, position.y, position.z); /* may also store actual detector orientation in the future */ strncpy(detector.title, title && strlen(title) ? title : component, CHAR_BUF_LENGTH); strncpy(detector.xlabel, xlabel && strlen(xlabel) ? xlabel : "X", CHAR_BUF_LENGTH); /* axis labels */ strncpy(detector.ylabel, ylabel && strlen(ylabel) ? ylabel : "Y", CHAR_BUF_LENGTH); strncpy(detector.zlabel, zlabel && strlen(zlabel) ? zlabel : "Z", CHAR_BUF_LENGTH); strncpy(detector.xvar, xvar && strlen(xvar) ? xvar : "x", CHAR_BUF_LENGTH); /* axis variables */ strncpy(detector.yvar, yvar && strlen(yvar) ? yvar : detector.xvar, CHAR_BUF_LENGTH); strncpy(detector.zvar, zvar && strlen(zvar) ? zvar : detector.yvar, CHAR_BUF_LENGTH); /* set "variables" as e.g. "I I_err N" */ strcpy(c, "I "); if (strlen(detector.zvar)) strncpy(c, detector.zvar,32); else if (strlen(detector.yvar)) strncpy(c, detector.yvar,32); else if (strlen(detector.xvar)) strncpy(c, detector.xvar,32); if (detector.rank == 1) snprintf(detector.variables, CHAR_BUF_LENGTH, "%s %s %s_err N", detector.xvar, c, c); else snprintf(detector.variables, CHAR_BUF_LENGTH, "%s %s_err N", c, c); /* limits */ detector.xmin = x1; detector.xmax = x2; detector.ymin = y1; detector.ymax = y2; detector.zmin = z1; detector.zmax = z2; if (abs(detector.rank) == 1) snprintf(detector.limits, CHAR_BUF_LENGTH, "%g %g", x1, x2); else if (detector.rank == 2) snprintf(detector.limits, CHAR_BUF_LENGTH, "%g %g %g %g", x1, x2, y1, y2); else snprintf(detector.limits, CHAR_BUF_LENGTH, "%g %g %g %g %g %g", x1, x2, y1, y2, z1, z2); /* if MPI and nodes_nb > 1: reduce data sets when using MPI =============== */ #ifdef USE_MPI if (!strcasestr(detector.format,"list") && mpi_node_count > 1 && m) { /* we save additive data: reduce everything into mpi_node_root */ if (p0) mc_MPI_Sum(p0, m*n*p); if (p1) mc_MPI_Sum(p1, m*n*p); if (p2) mc_MPI_Sum(p2, m*n*p); if (!p0) { /* additive signal must be then divided by the number of nodes */ int i; for (i=0; i CHAR_BUF_LENGTH) break; snprintf(ThisParam, CHAR_BUF_LENGTH, " %s(%s)", mcinputtable[i].name, (*mcinputtypes[mcinputtable[i].type].parminfo) (mcinputtable[i].name)); if (strlen(Parameters) + strlen(ThisParam) + 1 >= CHAR_BUF_LENGTH) break; strcat(Parameters, ThisParam); } /* output data ============================================================ */ if (f != stdout) fprintf(f, "%sFile: %s%c%s\n", pre, dirname, MC_PATHSEP_C, siminfo_name); else fprintf(f, "%sCreator: %s\n", pre, MCCODE_STRING); fprintf(f, "%sSource: %s\n", pre, instrument_source); fprintf(f, "%sParameters: %s\n", pre, Parameters); fprintf(f, "%sTrace_enabled: %s\n", pre, traceenabled ? "yes" : "no"); fprintf(f, "%sDefault_main: %s\n", pre, defaultmain ? "yes" : "no"); #ifdef MC_EMBEDDED_RUNTIME fprintf(f, "%sEmbedded_runtime: %s\n", pre, "yes"); #else fprintf(f, "%sEmbedded_runtime: %s\n", pre, "no"); #endif fflush(f); } /* mcinfo_out */ /******************************************************************************* * mcruninfo_out: output simulation tags/info (both in SIM and data files) * Used in: siminfo_init (ascii case), mcdetector_out_xD_ascii *******************************************************************************/ static void mcruninfo_out(char *pre, FILE *f) { int i; char Parameters[CHAR_BUF_LENGTH]; if (!f || mcdisable_output_files) return; fprintf(f, "%sFormat: %s%s\n", pre, mcformat && strlen(mcformat) ? mcformat : MCCODE_NAME, mcformat && strcasestr(mcformat,"McCode") ? " with text headers" : ""); fprintf(f, "%sURL: %s\n", pre, "http://www.mccode.org"); fprintf(f, "%sCreator: %s\n", pre, MCCODE_STRING); fprintf(f, "%sInstrument: %s\n", pre, instrument_source); fprintf(f, "%sNcount: %llu\n", pre, mcget_ncount()); fprintf(f, "%sTrace: %s\n", pre, mcdotrace ? "yes" : "no"); fprintf(f, "%sGravitation: %s\n", pre, mcgravitation ? "yes" : "no"); snprintf(Parameters, CHAR_BUF_LENGTH, "%ld", mcseed); fprintf(f, "%sSeed: %s\n", pre, Parameters); fprintf(f, "%sDirectory: %s\n", pre, dirname ? dirname : "."); #ifdef USE_MPI if (mpi_node_count > 1) fprintf(f, "%sNodes: %i\n", pre, mpi_node_count); #endif // TODO Consider replacing this by a a call to `mcparameterinfo_out(pre+"Param: ", f)` /* output parameter string ================================================ */ for(i = 0; i < numipar; i++) { if (mcinputtable[i].par){ /* Parameters with a default value */ if(mcinputtable[i].val && strlen(mcinputtable[i].val)){ (*mcinputtypes[mcinputtable[i].type].printer)(Parameters, mcinputtable[i].par); fprintf(f, "%sParam: %s=%s\n", pre, mcinputtable[i].name, Parameters); /* ... and those without */ }else{ fprintf(f, "%sParam: %s=NULL\n", pre, mcinputtable[i].name); } } } fflush(f); } /* mcruninfo_out */ /******************************************************************************* * @brief Print parameter information to the specified file * @param pre any beginning-of-line padding * @param f the output file */ static void mcparameterinfo_out(char * pre, FILE *f){ if (!f || mcdisable_output_files) return; unsigned int nchar = 4; for (int i=0; i < numipar; ++i){ if (mcinputtable[i].par && mcinputtable[i].val && strlen(mcinputtable[i].val) > nchar) nchar = strlen(mcinputtable[i].val); } char * buffer = calloc(nchar+1, sizeof(char)); if (!buffer) { exit(1); } for (int i=0; i < numipar; ++i) { if (mcinputtable[i].par) { char * name = mcinputtable[i].name; if (mcinputtable[i].val && strlen(mcinputtable[i].val)) { mcinputtypes[mcinputtable[i].type].printer(buffer, mcinputtable[i].par); } else { strcpy(buffer, "NULL"); } if (strlen(mcinputtable[i].unit)){ //fprintf(f, "%s%s %s (\"%s\") = %s\n", pre, mcinputtypes[mcinputtable[i].type].parminfo(name), name, mcinputtable[i].unit, buffer); fprintf(f, "%s%s %s/\"%s\" = %s\n", pre, mcinputtypes[mcinputtable[i].type].parminfo(name), name, mcinputtable[i].unit, buffer); } else { fprintf(f, "%s%s %s = %s\n", pre, mcinputtypes[mcinputtable[i].type].parminfo(name), name, buffer); } } } free(buffer); } /******************************************************************************* * siminfo_out: wrapper to fprintf(siminfo_file) *******************************************************************************/ void siminfo_out(char *format, ...) { va_list ap; if(siminfo_file && !mcdisable_output_files) { va_start(ap, format); vfprintf(siminfo_file, format, ap); va_end(ap); } } /* siminfo_out */ /******************************************************************************* * mcdatainfo_out: output detector header * mcdatainfo_out(prefix, file_handle, detector) writes info to data file *******************************************************************************/ static void mcdatainfo_out(char *pre, FILE *f, MCDETECTOR detector) { if (!f || !detector.m || mcdisable_output_files) return; /* output data ============================================================ */ fprintf(f, "%sDate: %s (%li)\n", pre, detector.date, detector.date_l); fprintf(f, "%stype: %s\n", pre, detector.type); fprintf(f, "%sSource: %s\n", pre, detector.instrument); fprintf(f, "%scomponent: %s\n", pre, detector.component); fprintf(f, "%sposition: %s\n", pre, detector.position); fprintf(f, "%stitle: %s\n", pre, detector.title); fprintf(f, !mcget_run_num() || mcget_run_num() >= mcget_ncount() ? "%sNcount: %s\n" : "%sratio: %s\n", pre, detector.ncount); if (strlen(detector.filename)) { fprintf(f, "%sfilename: %s\n", pre, detector.filename); } fprintf(f, "%sstatistics: %s\n", pre, detector.statistics); fprintf(f, "%ssignal: %s\n", pre, detector.signal); fprintf(f, "%svalues: %s\n", pre, detector.values); if (detector.rank >= 1) { fprintf(f, "%sxvar: %s\n", pre, detector.xvar); fprintf(f, "%syvar: %s\n", pre, detector.yvar); fprintf(f, "%sxlabel: %s\n", pre, detector.xlabel); fprintf(f, "%sylabel: %s\n", pre, detector.ylabel); if (detector.rank > 1) { fprintf(f, "%szvar: %s\n", pre, detector.zvar); fprintf(f, "%szlabel: %s\n", pre, detector.zlabel); } } fprintf(f, abs(detector.rank)==1 ? "%sxlimits: %s\n" : "%sxylimits: %s\n", pre, detector.limits); fprintf(f, "%svariables: %s\n", pre, strcasestr(detector.format, "list") ? detector.ylabel : detector.variables); fflush(f); } /* mcdatainfo_out */ /* mcdetector_out_array_ascii: output a single array to a file * m: columns * n: rows * p: array * f: file handle (already opened) */ static void mcdetector_out_array_ascii(long m, long n, double *p, FILE *f, char istransposed) { if(f) { int i,j; for(j = 0; j < n; j++) { for(i = 0; i < m; i++) { fprintf(f, "%.10g ", p[!istransposed ? i*n + j : j*m+i]); } fprintf(f,"\n"); } } } /* mcdetector_out_array_ascii */ /******************************************************************************* * mcdetector_out_0D_ascii: called by mcdetector_out_0D for ascii output *******************************************************************************/ MCDETECTOR mcdetector_out_0D_ascii(MCDETECTOR detector) { int exists=0; FILE *outfile = NULL; /* Write data set information to simulation description file. */ MPI_MASTER( siminfo_out("\nbegin data\n"); // detector.component mcdatainfo_out(" ", siminfo_file, detector); siminfo_out("end data\n"); /* Don't write if filename is NULL: mcnew_file handles this (return NULL) */ outfile = mcnew_file(detector.component, "dat", &exists); if(outfile) { /* write data file header and entry in simulation description file */ mcruninfo_out( "# ", outfile); mcdatainfo_out("# ", outfile, detector); /* write I I_err N */ fprintf(outfile, "%g %g %g\n", detector.intensity, detector.error, detector.events); fclose(outfile); } ); /* MPI_MASTER */ return(detector); } /* mcdetector_out_0D_ascii */ /******************************************************************************* * mcdetector_out_1D_ascii: called by mcdetector_out_1D for ascii output *******************************************************************************/ MCDETECTOR mcdetector_out_1D_ascii(MCDETECTOR detector) { int exists=0; FILE *outfile = NULL; MPI_MASTER( /* Write data set information to simulation description file. */ siminfo_out("\nbegin data\n"); // detector.filename mcdatainfo_out(" ", siminfo_file, detector); siminfo_out("end data\n"); /* Loop over array elements, writing to file. */ /* Don't write if filename is NULL: mcnew_file handles this (return NULL) */ outfile = mcnew_file(detector.filename, "dat", &exists); if(outfile) { /* write data file header and entry in simulation description file */ mcruninfo_out( "# ", outfile); mcdatainfo_out("# ", outfile, detector); /* output the 1D array columns */ mcdetector_out_array_ascii(detector.m, detector.n, detector.p1, outfile, detector.istransposed); fclose(outfile); } ); /* MPI_MASTER */ return(detector); } /* mcdetector_out_1D_ascii */ /******************************************************************************* * mcdetector_out_2D_ascii: called by mcdetector_out_2D for ascii output *******************************************************************************/ MCDETECTOR mcdetector_out_2D_ascii(MCDETECTOR detector) { int exists=0; FILE *outfile = NULL; MPI_MASTER( /* Loop over array elements, writing to file. */ /* Don't write if filename is NULL: mcnew_file handles this (return NULL) */ outfile = mcnew_file(detector.filename, "dat", &exists); if(outfile) { /* write header only if file has just been created (not appending) */ if (!exists) { /* Write data set information to simulation description file. */ siminfo_out("\nbegin data\n"); // detector.filename mcdatainfo_out(" ", siminfo_file, detector); siminfo_out("end data\n"); mcruninfo_out( "# ", outfile); mcdatainfo_out("# ", outfile, detector); } /* Add # Data entry for any write to the file (e.g. via -USR2, see GitHub issue #2174 ) */ fprintf(outfile, "# Data [%s/%s] %s:\n", detector.component, detector.filename, detector.zvar); mcdetector_out_array_ascii(detector.m, detector.n*detector.p, detector.p1, outfile, detector.istransposed); if (detector.p2) { fprintf(outfile, "# Errors [%s/%s] %s_err:\n", detector.component, detector.filename, detector.zvar); mcdetector_out_array_ascii(detector.m, detector.n*detector.p, detector.p2, outfile, detector.istransposed); } if (detector.p0) { fprintf(outfile, "# Events [%s/%s] N:\n", detector.component, detector.filename); mcdetector_out_array_ascii(detector.m, detector.n*detector.p, detector.p0, outfile, detector.istransposed); } fclose(outfile); if (!exists) { if (strcasestr(detector.format, "list")) printf("Events: \"%s\"\n", strlen(detector.filename) ? detector.filename : detector.component); } } /* if outfile */ ); /* MPI_MASTER */ #ifdef USE_MPI if (strcasestr(detector.format, "list") && mpi_node_count > 1) { int node_i=0; /* loop along MPI nodes to write sequentially */ for(node_i=0; node_i strlen(original)) n = strlen(original); else original += strlen(original)-n; strncpy(valid, original, n); for (i=0; i < n; i++) { if ( (valid[i] > 122) || (valid[i] < 32) || (strchr("!\"#$%&'()*+,-.:;<=>?@[\\]^`/ \n\r\t", valid[i]) != NULL) ) { if (i) valid[i] = '_'; else valid[i] = 'm'; } } valid[i] = '\0'; return(valid); } /* strcpy_valid */ /* end ascii output section ================================================= */ #ifdef USE_NEXUS /* ========================================================================== */ /* NeXus output */ /* ========================================================================== */ #define nxprintf(...) nxstr('d', __VA_ARGS__) #define nxprintattr(...) nxstr('a', __VA_ARGS__) /******************************************************************************* * nxstr: output a tag=value data set (char) in NeXus/current group * when 'format' is larger that 1024 chars it is used as value for the 'tag' * else the value is assembled with format and following arguments. * type='d' -> data set * 'a' -> attribute for current data set *******************************************************************************/ static int nxstr(char type, NXhandle *f, char *tag, char *format, ...) { va_list ap; char value[CHAR_BUF_LENGTH]; int i; int ret=NX_OK; if (!tag || !format || !strlen(tag) || !strlen(format)) return(NX_OK); /* assemble the value string */ if (strlen(format) < CHAR_BUF_LENGTH) { va_start(ap, format); ret = vsnprintf(value, CHAR_BUF_LENGTH, format, ap); va_end(ap); i = strlen(value); } else { i = strlen(format); } if (type == 'd') { /* open/put/close data set */ if (NXmakedata (f, tag, NX_CHAR, 1, &i) != NX_OK) return(NX_ERROR); NXopendata (f, tag); if (strlen(format) < CHAR_BUF_LENGTH) ret = NXputdata (f, value); else ret = NXputdata (f, format); NXclosedata(f); } else { if (strlen(format) < CHAR_BUF_LENGTH) ret = NXputattr (f, tag, value, strlen(value), NX_CHAR); else ret = NXputattr (f, tag, format, strlen(format), NX_CHAR); } return(ret); } /* nxstr */ /******************************************************************************* * mcinfo_readfile: read a full file into a string buffer which is allocated * Think to free the buffer after use. * Used in: mcinfo_out_nexus (nexus) *******************************************************************************/ char *mcinfo_readfile(char *filename) { FILE *f = fopen(filename, "rb"); if (!f) return(NULL); fseek(f, 0, SEEK_END); long fsize = ftell(f); rewind(f); char *string = malloc(fsize + 1); if (string) { int n = fread(string, fsize, 1, f); fclose(f); string[fsize] = 0; } return(string); } /******************************************************************************* * mcinfo_out: output instrument/simulation groups in NeXus file * Used in: siminfo_init (nexus) *******************************************************************************/ static void mcinfo_out_nexus(NXhandle f) { FILE *fid; /* for intrument source code/C/IDF */ char *buffer=NULL; time_t t =time(NULL); /* for date */ char entry0[CHAR_BUF_LENGTH]; int count=0; char name[CHAR_BUF_LENGTH]; char class[CHAR_BUF_LENGTH]; if (!f || mcdisable_output_files) return; /* write NeXus NXroot attributes */ /* automatically added: file_name, HDF5_Version, file_time, NeXus_version */ nxprintattr(f, "creator", "%s generated with " MCCODE_STRING, instrument_name); /* count the number of existing NXentry and create the next one */ NXgetgroupinfo(f, &count, name, class); sprintf(entry0, "entry%i", count+1); /* create the main NXentry (mandatory in NeXus) */ if (NXmakegroup(f, entry0, "NXentry") == NX_OK) if (NXopengroup(f, entry0, "NXentry") == NX_OK) { nxprintf(nxhandle, "program_name", MCCODE_STRING); nxprintf(f, "start_time", ctime(&t)); nxprintf(f, "title", "%s%s%s simulation generated by instrument %s", dirname && strlen(dirname) ? dirname : ".", MC_PATHSEP_S, siminfo_name, instrument_name); nxprintattr(f, "program_name", MCCODE_STRING); nxprintattr(f, "instrument", instrument_name); nxprintattr(f, "simulation", "%s%s%s", dirname && strlen(dirname) ? dirname : ".", MC_PATHSEP_S, siminfo_name); /* write NeXus instrument group */ if (NXmakegroup(f, "instrument", "NXinstrument") == NX_OK) if (NXopengroup(f, "instrument", "NXinstrument") == NX_OK) { int i; char *string=NULL; /* write NeXus parameters(types) data =================================== */ string = (char*)malloc(CHAR_BUF_LENGTH); if (string) { strcpy(string, ""); for(i = 0; i < numipar; i++) { char ThisParam[CHAR_BUF_LENGTH]; snprintf(ThisParam, CHAR_BUF_LENGTH, " %s(%s)", mcinputtable[i].name, (*mcinputtypes[mcinputtable[i].type].parminfo) (mcinputtable[i].name)); if (strlen(string) + strlen(ThisParam) < CHAR_BUF_LENGTH) strcat(string, ThisParam); } nxprintattr(f, "Parameters", string); free(string); } nxprintattr(f, "name", instrument_name); nxprintf (f, "name", instrument_name); nxprintattr(f, "Source", instrument_source); nxprintattr(f, "Trace_enabled", traceenabled ? "yes" : "no"); nxprintattr(f, "Default_main", defaultmain ? "yes" : "no"); #ifdef MC_EMBEDDED_RUNTIME nxprintattr(f, "Embedded_runtime", "yes"); #else nxprintattr(f, "Embedded_runtime", "no"); #endif /* add instrument source code when available */ buffer = mcinfo_readfile(instrument_source); if (buffer && strlen(buffer)) { long length=strlen(buffer); nxprintf (f, "description", buffer); NXopendata(f,"description"); nxprintattr(f, "file_name", instrument_source); nxprintattr(f, "file_size", "%li", length); nxprintattr(f, "MCCODE_STRING", MCCODE_STRING); NXclosedata(f); nxprintf (f,"instrument_source", "%s " MCCODE_NAME " " MCCODE_PARTICLE " Monte Carlo simulation", instrument_name); free(buffer); } else nxprintf (f, "description", "File %s not found (instrument description %s is missing)", instrument_source, instrument_name); if (mcnexus_embed_idf) { /* add Mantid/IDF.xml when available */ char *IDFfile=NULL; IDFfile = (char*)malloc(CHAR_BUF_LENGTH); sprintf(IDFfile,"%s%s",instrument_source,".xml"); buffer = mcinfo_readfile(IDFfile); if (buffer && strlen(buffer)) { NXmakegroup (nxhandle, "instrument_xml", "NXnote"); NXopengroup (nxhandle, "instrument_xml", "NXnote"); nxprintf(f, "data", buffer); nxprintf(f, "description", "IDF.xml file found with instrument %s", instrument_source); nxprintf(f, "type", "text/xml"); NXclosegroup(f); /* instrument_xml */ free(buffer); } free(IDFfile); } /* Add "components" entry */ if (NXmakegroup(f, "components", "NXdata") == NX_OK) { NXopengroup(f, "components", "NXdata"); nxprintattr(f, "description", "Component list for instrument %s", instrument_name); NXclosegroup(f); /* components */ } else { printf("Failed to create NeXus component hierarchy\n"); } NXclosegroup(f); /* instrument */ } /* NXinstrument */ /* write NeXus simulation group */ if (NXmakegroup(f, "simulation", "NXnote") == NX_OK) if (NXopengroup(f, "simulation", "NXnote") == NX_OK) { nxprintattr(f, "name", "%s%s%s", dirname && strlen(dirname) ? dirname : ".", MC_PATHSEP_S, siminfo_name); nxprintf (f, "name", "%s", siminfo_name); nxprintattr(f, "Format", mcformat && strlen(mcformat) ? mcformat : MCCODE_NAME); nxprintattr(f, "URL", "http://www.mccode.org"); nxprintattr(f, "program", MCCODE_STRING); nxprintattr(f, "Instrument",instrument_source); nxprintattr(f, "Trace", mcdotrace ? "yes" : "no"); nxprintattr(f, "Gravitation",mcgravitation ? "yes" : "no"); nxprintattr(f, "Seed", "%li", mcseed); nxprintattr(f, "Directory", dirname); #ifdef USE_MPI if (mpi_node_count > 1) nxprintf(f, "Nodes", "%i", mpi_node_count); #endif /* output parameter string ================================================ */ if (NXmakegroup(f, "Param", "NXparameters") == NX_OK) { NXopengroup(f,"Param", "NXparameters"); int i; char string[CHAR_BUF_LENGTH]; for(i = 0; i < numipar; i++) { if (mcget_run_num() || (mcinputtable[i].val && strlen(mcinputtable[i].val))) { if (mcinputtable[i].par == NULL) strncpy(string, (mcinputtable[i].val ? mcinputtable[i].val : ""), CHAR_BUF_LENGTH); else (*mcinputtypes[mcinputtable[i].type].printer)(string, mcinputtable[i].par); nxprintf(f, mcinputtable[i].name, "%s", string); nxprintattr(f, mcinputtable[i].name, string); } } NXclosegroup(f); /* Param */ } /* NXparameters */ NXclosegroup(f); /* simulation */ } /* NXsimulation */ /* create a group to hold all links for all monitors */ NXmakegroup(f, "data", "NXdetector"); /* leave the NXentry opened (closed at exit) */ } /* NXentry */ } /* mcinfo_out_nexus */ /******************************************************************************* * mccomp_placement_type_nexus: * Places * - absolute (3x1) position * - absolute (3x3) rotation * - type / class of component instance into attributes under * entry/instrument/compname * requires: NXentry to be opened *******************************************************************************/ static void mccomp_placement_type_nexus(NXhandle nxhandle, char* component, Coords position, Rotation rotation, char* comptype) { /* open NeXus instrument group */ #ifdef USE_NEXUS if(nxhandle) { if (NXopengroup(nxhandle, "instrument", "NXinstrument") == NX_OK) { if (NXopengroup(nxhandle, "components", "NXdata") == NX_OK) { if (NXmakegroup(nxhandle, component, "NXdata") == NX_OK) { if (NXopengroup(nxhandle, component, "NXdata") == NX_OK) { int64_t pdims[3]; pdims[0]=3; pdims[1]=0; pdims[2]=0; if (NXcompmakedata64(nxhandle, "Position", NX_FLOAT64, 1, pdims, NX_COMPRESSION, pdims) == NX_OK) { if (NXopendata(nxhandle, "Position") == NX_OK) { double pos[3]; coords_get(position, &pos[0], &pos[1], &pos[2]); if (NXputdata (nxhandle, pos) == NX_OK) { NXclosedata(nxhandle); } else { fprintf(stderr, "COULD NOT PUT Position field for component %s\n",component); } } else { fprintf(stderr, "Warning: could not open Position field for component %s\n",component); } } int64_t rdims[3]; rdims[0]=3; rdims[1]=3; rdims[2]=0; if (NXcompmakedata64(nxhandle, "Rotation", NX_FLOAT64, 2, rdims, NX_COMPRESSION, rdims) == NX_OK) { if (NXopendata(nxhandle, "Rotation") == NX_OK) { if (NXputdata (nxhandle, rotation) == NX_OK) { NXclosedata(nxhandle); } else { fprintf(stderr, "COULD NOT PUT Rotation field for component %s\n",component); } } else { fprintf(stderr, "Warning: could not open Rotation field for component %s\n",component); } } nxprintf(nxhandle, "Component_type", comptype); NXclosegroup(nxhandle); // component } else { printf("FAILED to open comp data group %s\n",component); } } else { printf("FAILED to create comp data group %s\n",component); } NXclosegroup(nxhandle); // components } else { printf("Failed to open NeXus component hierarchy\n"); } NXclosegroup(nxhandle); // instrument } else { printf("Failed to open NeXus instrument hierarchy\n"); } } else { fprintf(stderr,"NO NEXUS FILE\n"); } #endif } /* mccomp_placement_nexus */ /******************************************************************************* * mccomp_param_nexus: * Output parameter/value pair for component instance into * the attribute * entry/instrument/compname/parameter * requires: NXentry to be opened *******************************************************************************/ static void mccomp_param_nexus(NXhandle nxhandle, char* component, char* parameter, char* defval, char* value, char* type) { /* open NeXus instrument group */ #ifdef USE_NEXUS if(nxhandle) { if (NXopengroup(nxhandle, "instrument", "NXinstrument") == NX_OK) { if (NXopengroup(nxhandle, "components", "NXdata") == NX_OK) { if (NXopengroup(nxhandle, component, "NXdata") == NX_OK) { NXMDisableErrorReporting(); /* inactivate NeXus error messages, as creation may fail */ NXmakegroup(nxhandle, "parameters", "NXdata"); NXMEnableErrorReporting(); /* re-enable NeXus error messages */ if (NXopengroup(nxhandle, "parameters", "NXdata") == NX_OK) { NXmakegroup(nxhandle, parameter, "NXnote"); if (NXopengroup(nxhandle, parameter, "NXnote") == NX_OK) { nxprintattr(nxhandle, "type", type); nxprintattr(nxhandle, "default", defval); nxprintattr(nxhandle, "value", value); NXclosegroup(nxhandle); // parameter } else { printf("FAILED to open parameters %s data group \n",parameter); } NXclosegroup(nxhandle); // "parameters" } else { printf("FAILED to open comp/parameters data group \n"); } NXclosegroup(nxhandle); // component } else { printf("FAILED to open comp data group %s\n",component); } NXclosegroup(nxhandle); // components } else { printf("Failed to open NeXus component hierarchy\n"); } NXclosegroup(nxhandle); // instrument } else { printf("Failed to open NeXus instrument hierarchy\n"); } } else { fprintf(stderr,"NO NEXUS FILE\n"); } #endif } /* mccomp_param_nexus */ /******************************************************************************* * mcdatainfo_out_nexus: output detector header * mcdatainfo_out_nexus(detector) create group and write info to NeXus data file * open data:NXdetector then filename:NXdata and write headers/attributes * requires: NXentry to be opened *******************************************************************************/ static void mcdatainfo_out_nexus(NXhandle f, MCDETECTOR detector) { char data_name[CHAR_BUF_LENGTH]; if (!f || !detector.m || mcdisable_output_files) return; strcpy_valid(data_name, strlen(detector.filename) ? detector.filename : detector.component); /* the NXdetector group has been created in mcinfo_out_nexus (siminfo_init) */ if (NXopengroup(f, "instrument", "NXinstrument") == NX_OK) { if (NXopengroup(f, "components", "NXdata") == NX_OK) { NXMDisableErrorReporting(); /* inactivate NeXus error messages, as creation may fail */ NXmakegroup(f, detector.nexuscomp, "NXdata"); if (NXopengroup(f, detector.nexuscomp, "NXdata") == NX_OK) { NXmakegroup(f, "output", "NXdetector"); if (NXopengroup(f, "output", "NXdetector") == NX_OK) { if (NXmakegroup(f, data_name, "NXdata") == NX_OK) { if (NXopengroup(f, data_name, "NXdata") == NX_OK) { /* output metadata (as attributes) ======================================== */ nxprintattr(f, "Date", detector.date); nxprintattr(f, "type", detector.type); nxprintattr(f, "Source", detector.instrument); nxprintattr(f, "component", detector.component); nxprintattr(f, "position", detector.position); nxprintattr(f, "title", detector.title); nxprintattr(f, !mcget_run_num() || mcget_run_num() >= mcget_ncount() ? "Ncount" : "ratio", detector.ncount); if (strlen(detector.filename)) { nxprintattr(f, "filename", detector.filename); } nxprintattr(f, "statistics", detector.statistics); nxprintattr(f, "signal", detector.signal); nxprintattr(f, "values", detector.values); if (detector.rank >= 1) { nxprintattr(f, "xvar", detector.xvar); nxprintattr(f, "yvar", detector.yvar); nxprintattr(f, "xlabel", detector.xlabel); nxprintattr(f, "ylabel", detector.ylabel); if (detector.rank > 1) { nxprintattr(f, "zvar", detector.zvar); nxprintattr(f, "zlabel", detector.zlabel); } } nxprintattr(f, abs(detector.rank)==1 ? "xlimits" : "xylimits", detector.limits); nxprintattr(f, "variables", strcasestr(detector.format, "list") ? detector.ylabel : detector.variables); NXclosegroup(f); // data_name } } } NXclosegroup(f); // output NXclosegroup(f); // detector.nexuscomp } NXclosegroup(f); // components } NXMEnableErrorReporting(); /* re-enable NeXus error messages */ NXclosegroup(f); // instrument } /* NXdetector (instrument) */ } /* mcdatainfo_out_nexus */ /******************************************************************************* * mcdetector_out_axis_nexus: write detector axis into current NXdata * requires: NXdata to be opened *******************************************************************************/ int mcdetector_out_axis_nexus(NXhandle f, char *label, char *var, int rank, long length, double min, double max) { if (!f || length <= 1 || mcdisable_output_files || max == min) return(NX_OK); else { double *axis; axis=malloc(sizeof(double)*length); if (!axis ) { printf("Fatal memory error allocating NeXus axis of length %li, exiting!\n", length); return(NX_ERROR); } char *valid; valid=malloc(sizeof(char)*CHAR_BUF_LENGTH); if (!valid ) { printf("Fatal memory error allocating label axis of length %li, exiting!\n", CHAR_BUF_LENGTH); free(axis); return(NX_ERROR); } int dim=(int)length; int i; int nprimary=1; /* create an axis from [min:max] */ for(i = 0; i < length; i++) axis[i] = min+(max-min)*(i+0.5)/length; /* create the data set */ strcpy_valid(valid, label); NXcompmakedata(f, valid, NX_FLOAT64, 1, &dim, NX_COMPRESSION, &dim); /* open it */ if (NXopendata(f, valid) != NX_OK) { fprintf(stderr, "Warning: could not open axis rank %i '%s' (NeXus)\n", rank, valid); free(axis); free(valid); return(NX_ERROR); } /* put the axis and its attributes */ NXputdata (f, axis); nxprintattr(f, "long_name", label); nxprintattr(f, "short_name", var); NXputattr (f, "axis", &rank, 1, NX_INT32); nxprintattr(f, "units", var); NXputattr (f, "primary", &nprimary, 1, NX_INT32); NXclosedata(f); free(axis); free(valid); return(NX_OK); } } /* mcdetector_out_axis_nexus */ /******************************************************************************* * mcdetector_out_array_nexus: write detector array into current NXdata (1D,2D) * requires: NXdata to be opened *******************************************************************************/ int mcdetector_out_array_nexus(NXhandle f, char *part, double *data, MCDETECTOR detector) { int64_t dims[3]={detector.m,detector.n,detector.p}; /* number of elements to write */ int64_t fulldims[3]={detector.m,detector.n,detector.p}; int signal=1; int exists=0; int64_t current_dims[3]={0,0,0}; int ret=NX_OK; if (!f || !data || !detector.m || mcdisable_output_files) return(NX_OK); /* when this is a list, we set 1st dimension to NX_UNLIMITED for creation */ if (strcasestr(detector.format, "list")) fulldims[0] = NX_UNLIMITED; /* create the data set in NXdata group */ NXMDisableErrorReporting(); /* inactivate NeXus error messages, as creation may fail */ ret = NXcompmakedata64(f, part, NX_FLOAT64, detector.rank, fulldims, NX_COMPRESSION, dims); if (ret != NX_OK) { /* failed: data set already exists */ int datatype=0; int rank=0; exists=1; /* inquire current size of data set (nb of events stored) */ NXopendata(f, part); NXgetinfo64(f, &rank, current_dims, &datatype); NXclosedata(f); } NXMEnableErrorReporting(); /* re-enable NeXus error messages */ /* open the data set */ if (NXopendata(f, part) == NX_ERROR) { fprintf(stderr, "Warning: could not open DataSet %s '%s' (NeXus)\n", part, detector.title); return(NX_ERROR); } if (strcasestr(detector.format, "list")) { current_dims[1] = current_dims[2] = 0; /* set starting location for writing slab */ NXputslab64(f, data, current_dims, dims); if (!exists) printf("Events: \"%s\"\n", strlen(detector.filename) ? detector.filename : detector.component); else printf("Append: \"%s\"\n", strlen(detector.filename) ? detector.filename : detector.component); } else { NXputdata (f, data); } if (strstr(part,"data") || strstr(part, "events")) { NXputattr(f, "signal", &signal, 1, NX_INT32); nxprintattr(f, "short_name", strlen(detector.filename) ? detector.filename : detector.component); } nxprintattr(f, "long_name", "%s '%s'", part, detector.title); NXclosedata(f); return(NX_OK); } /* mcdetector_out_array_nexus */ /******************************************************************************* * mcdetector_out_data_nexus: write detector axes+data into current NXdata * The data:NXdetector is opened, then filename:NXdata * requires: NXentry to be opened *******************************************************************************/ int mcdetector_out_data_nexus(NXhandle f, MCDETECTOR detector) { char data_name[CHAR_BUF_LENGTH]; if (!f || !detector.m || mcdisable_output_files) return(NX_OK); strcpy_valid(data_name, strlen(detector.filename) ? detector.filename : detector.component); NXlink pLink; /* the NXdetector group has been created in mcinfo_out_nexus (siminfo_init) */ if (NXopengroup(f, "instrument", "NXinstrument") == NX_OK) { if (NXopengroup(f, "components", "NXdata") == NX_OK) { if (NXopengroup(f, detector.nexuscomp, "NXdata") == NX_OK) { if (NXopengroup(f, "output", "NXdetector") == NX_OK) { /* the NXdata group has been created in mcdatainfo_out_nexus */ if (NXopengroup(f, data_name, "NXdata") == NX_OK) { MPI_MASTER( nxprintattr(f, "options", strlen(detector.options) ? detector.options : "None"); ); /* write axes, for histogram data sets, not for lists */ if (!strcasestr(detector.format, "list")) { mcdetector_out_axis_nexus(f, detector.xlabel, detector.xvar, 1, detector.m, detector.xmin, detector.xmax); mcdetector_out_axis_nexus(f, detector.ylabel, detector.yvar, 2, detector.n, detector.ymin, detector.ymax); mcdetector_out_axis_nexus(f, detector.zlabel, detector.zvar, 3, detector.p, detector.zmin, detector.zmax); } else { MPI_MASTER( nxprintattr(f, "dataset columns", strlen(detector.ylabel) ? detector.ylabel : "None"); ); } /* write the actual data (appended if already exists) */ if (!strcasestr(detector.format, "list") && !strcasestr(detector.format, "pixels")) { mcdetector_out_array_nexus(f, "data", detector.p1, detector); mcdetector_out_array_nexus(f, "errors", detector.p2, detector); mcdetector_out_array_nexus(f, "ncount", detector.p0, detector); } else if (strcasestr(detector.format, "pixels")) { mcdetector_out_array_nexus( f, "pixels", detector.p1, detector); } else { mcdetector_out_array_nexus( f, "events", detector.p1, detector); } NXclosegroup(f); NXopengroup(f, data_name, "NXdata"); NXgetgroupID(nxhandle, &pLink); NXclosegroup(f); } /* NXdata data_name*/ NXclosegroup(f); } /* NXdetector output */ NXclosegroup(f); } /* NXdata detector.nexuscomp */ NXclosegroup(f); } /* NXdata components */ NXclosegroup(f); } /* NXdata instrument */ if (!strcasestr(detector.format, "pixels")) { if (NXopengroup(f, "data", "NXdetector") == NX_OK) { NXmakelink(nxhandle, &pLink); NXclosegroup(f); } } return(NX_OK); } /* mcdetector_out_array_nexus */ #ifdef USE_MPI /******************************************************************************* * mcdetector_out_list_slaves: slaves send their list data to master which writes * requires: NXentry to be opened * WARNING: this method has a flaw: it requires all nodes to flush the lists * the same number of times. In case one node is just below the buffer size * when finishing (e.g. monitor_nd), it may not trigger save but others may. * Then the number of recv/send is not constant along nodes, and simulation stalls. *******************************************************************************/ MCDETECTOR mcdetector_out_list_slaves(MCDETECTOR detector) { int node_i=0; MPI_MASTER( printf("\n** MPI master gathering slave node list data ** \n"); ); if (mpi_node_rank != mpi_node_root) { /* MPI slave: slaves send their data to master: 2 MPI_Send calls */ /* m, n, p must be sent first, since all slaves do not have the same number of events */ int mnp[3]={detector.m,detector.n,detector.p}; if (mc_MPI_Send(mnp, 3, MPI_INT, mpi_node_root)!= MPI_SUCCESS) fprintf(stderr, "Warning: proc %i to master: MPI_Send mnp list error (mcdetector_out_list_slaves)\n", mpi_node_rank); if (!detector.p1 || mc_MPI_Send(detector.p1, mnp[0]*mnp[1]*mnp[2], MPI_DOUBLE, mpi_node_root) != MPI_SUCCESS) fprintf(stderr, "Warning: proc %i to master: MPI_Send p1 list error: mnp=%i (mcdetector_out_list_slaves)\n", mpi_node_rank, abs(mnp[0]*mnp[1]*mnp[2])); /* slaves are done: sent mnp and p1 */ } /* end slaves */ /* MPI master: receive data from slaves sequentially: 2 MPI_Recv calls */ if (mpi_node_rank == mpi_node_root) { for(node_i=0; node_i 1) { mcdetector_out_list_slaves(detector); } #endif /* USE_MPI */ return(detector); } /* mcdetector_out_2D_nexus */ MCDETECTOR mcdetector_out_3D_nexus(MCDETECTOR detector) { printf("Received detector from %s\n",detector.component); MPI_MASTER( mcdatainfo_out_nexus(nxhandle, detector); mcdetector_out_data_nexus(nxhandle, detector); ); return(detector); } /* mcdetector_out_3D_nexus */ #endif /* USE_NEXUS*/ /* ========================================================================== */ /* Main input functions */ /* DETECTOR_OUT_xD function calls -> ascii or NeXus */ /* ========================================================================== */ /******************************************************************************* * siminfo_init: open SIM and write header *******************************************************************************/ FILE *siminfo_init(FILE *f) { int exists=0; /* check format */ if (!mcformat || !strlen(mcformat) || !strcasecmp(mcformat, "MCSTAS") || !strcasecmp(mcformat, "MCXTRACE") || !strcasecmp(mcformat, "PGPLOT") || !strcasecmp(mcformat, "GNUPLOT") || !strcasecmp(mcformat, "MCCODE") || !strcasecmp(mcformat, "MATLAB")) { mcformat="McCode"; #ifdef USE_NEXUS } else if (strcasestr(mcformat, "NeXus")) { /* Do nothing */ #endif } else { fprintf(stderr, "Warning: You have requested the output format %s which is unsupported by this binary. Resetting to standard %s format.\n",mcformat ,"McCode"); mcformat="McCode"; } /* open the SIM file if not defined yet */ if (siminfo_file || mcdisable_output_files) return (siminfo_file); #ifdef USE_NEXUS /* only master writes NeXus header: calls NXopen(nxhandle) */ if (mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( siminfo_file = mcnew_file(siminfo_name, "h5", &exists); if(!siminfo_file) fprintf(stderr, "Warning: could not open simulation description file '%s'\n", siminfo_name); else mcinfo_out_nexus(nxhandle); ); return(siminfo_file); /* points to nxhandle */ } #endif /* write main description file (only MASTER) */ MPI_MASTER( siminfo_file = mcnew_file(siminfo_name, "sim", &exists); if(!siminfo_file) fprintf(stderr, "Warning: could not open simulation description file '%s'\n", siminfo_name); else { /* write SIM header */ time_t t=time(NULL); siminfo_out("%s simulation description file for %s.\n", MCCODE_NAME, instrument_name); siminfo_out("Date: %s", ctime(&t)); /* includes \n */ siminfo_out("Program: %s\n\n", MCCODE_STRING); siminfo_out("begin instrument: %s\n", instrument_name); mcinfo_out( " ", siminfo_file); siminfo_out("end instrument\n"); siminfo_out("\nbegin simulation: %s\n", dirname); mcruninfo_out(" ", siminfo_file); siminfo_out("end simulation\n"); } ); /* MPI_MASTER */ return (siminfo_file); } /* siminfo_init */ /******************************************************************************* * siminfo_close: close SIM *******************************************************************************/ void siminfo_close() { #ifdef USE_MPI if(mpi_node_rank == mpi_node_root) { #endif if(siminfo_file && !mcdisable_output_files) { #ifdef USE_NEXUS if (mcformat && strcasestr(mcformat, "NeXus")) { time_t t=time(NULL); nxprintf(nxhandle, "end_time", ctime(&t)); nxprintf(nxhandle, "duration", "%li", (long)t-mcstartdate); NXclosegroup(nxhandle); /* NXentry */ NXclose(&nxhandle); } else { #endif fclose(siminfo_file); #ifdef USE_NEXUS } #endif #ifdef USE_MPI } #endif siminfo_file = NULL; } } /* siminfo_close */ /******************************************************************************* * mcdetector_out_0D: wrapper for 0D (single value). * Output single detector/monitor data (p0, p1, p2). * Title is t, component name is c. *******************************************************************************/ MCDETECTOR mcdetector_out_0D(char *t, double p0, double p1, double p2, char *c, Coords posa, Rotation rota, int index) { /* import and perform basic detector analysis (and handle MPI reduce) */ MCDETECTOR detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " data"), 1, 1, 1, "I", "", "", "I", "", "", 0, 0, 0, 0, 0, 0, c, &p0, &p1, &p2, posa, rota, index); /* write Detector: line */ #ifdef USE_NEXUS if (strcasestr(detector.format, "NeXus")) return(mcdetector_out_0D_nexus(detector)); else #endif return(mcdetector_out_0D_ascii(detector)); } /* mcdetector_out_0D */ /******************************************************************************* * mcdetector_out_1D: wrapper for 1D. * Output 1d detector data (p0, p1, p2) for n bins linearly * distributed across the range x1..x2 (x1 is lower limit of first * bin, x2 is upper limit of last bin). Title is t, axis labels are xl * and yl. File name is f, component name is c. * * t: title * xl: x-label * yl: y-label * xvar: measured variable length * x1: x axus min * x2: x axis max * n: 1d data vector lenght * p0: pntr to start of data block#0 * p1: pntr to start of data block#1 * p2: pntr to start of data block#2 * f: filename * * Not included in the macro, and here forwarded to detector_import: * c: ? * posa: ? *******************************************************************************/ MCDETECTOR mcdetector_out_1D(char *t, char *xl, char *yl, char *xvar, double x1, double x2, long n, double *p0, double *p1, double *p2, char *f, char *c, Coords posa, Rotation rota, int index) { /* import and perform basic detector analysis (and handle MPI_Reduce) */ // detector_import calls mcdetector_statistics, which will return different // MCDETECTOR versions for 1-D data based on the value of mcformat. // MCDETECTOR detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 1D data"), n, 1, 1, xl, yl, (n > 1 ? "Signal per bin" : " Signal"), xvar, "(I,I_err)", "I", x1, x2, 0, 0, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ if (!detector.p1 || !detector.m) return(detector); #ifdef USE_NEXUS if (strcasestr(detector.format, "NeXus")) detector = mcdetector_out_1D_nexus(detector); else #endif detector = mcdetector_out_1D_ascii(detector); if (detector.p1 != p1 && detector.p1) { // mcdetector_statistics allocated memory but it hasn't been freed. free(detector.p1); // plus undo the other damage done there: detector.p0 = p0; // was set to NULL detector.p1 = p1; // was set to this_p1 detector.p2 = p2; // was set to NULL detector.m = detector.n; // (e.g., labs(n)) detector.n = 1; // not (n x n) detector.istransposed = n < 0 ? 1 : 0; } return detector; } /* mcdetector_out_1D */ /******************************************************************************* * mcdetector_out_2D: wrapper for 2D. * Special case for list: master creates file first, then slaves append their * blocks without header- * * t: title * xl: x-label * yl: y-label * x1: x axus min * x2: x axis max * y1: y axis min * y2: y axis max * m: dim 1 (x) size * n: dim 2 (y) size * p0: pntr to start of data block#0 * p1: pntr to start of data block#1 * p2: pntr to start of data block#2 * f: filename * * Not included in the macro, and here forwarded to detector_import: * c: ? * posa: ? * rota: ? *******************************************************************************/ MCDETECTOR mcdetector_out_2D(char *t, char *xl, char *yl, double x1, double x2, double y1, double y2, long m, long n, double *p0, double *p1, double *p2, char *f, char *c, Coords posa, Rotation rota, int index) { char xvar[CHAR_BUF_LENGTH]; char yvar[CHAR_BUF_LENGTH]; /* create short axes labels */ if (xl && strlen(xl)) { strncpy(xvar, xl, CHAR_BUF_LENGTH); xvar[2]='\0'; } else strcpy(xvar, "x"); if (yl && strlen(yl)) { strncpy(yvar, yl, CHAR_BUF_LENGTH); yvar[2]='\0'; } else strcpy(yvar, "y"); MCDETECTOR detector; /* import and perform basic detector analysis (and handle MPI_Reduce) */ if (labs(m) == 1) {/* n>1 on Y, m==1 on X: 1D, no X axis*/ detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 1D data"), n, 1, 1, yl, "", "Signal per bin", yvar, "(I,Ierr)", "I", y1, y2, x1, x2, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ } else if (labs(n)==1) {/* m>1 on X, n==1 on Y: 1D, no Y axis*/ detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 1D data"), m, 1, 1, xl, "", "Signal per bin", xvar, "(I,Ierr)", "I", x1, x2, y1, y2, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ }else { detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 2D data"), m, n, 1, xl, yl, "Signal per bin", xvar, yvar, "I", x1, x2, y1, y2, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ } if (!detector.p1 || !detector.m) return(detector); #ifdef USE_NEXUS if (strcasestr(detector.format, "NeXus")) return(mcdetector_out_2D_nexus(detector)); else #endif return(mcdetector_out_2D_ascii(detector)); } /* mcdetector_out_2D */ /******************************************************************************* * mcdetector_out_2D_list: List mode 2D including forwarding "options" from * Monitor_nD * * Special case for list: master creates file first, then slaves append their * blocks without header- * * t: title * xl: x-label * yl: y-label * x1: x axus min * x2: x axis max * y1: y axis min * y2: y axis max * m: dim 1 (x) size * n: dim 2 (y) size * p0: pntr to start of data block#0 * p1: pntr to start of data block#1 * p2: pntr to start of data block#2 * f: filename * * Not included in the macro, and here forwarded to detector_import: * c: ? * posa: ? * rota: ? *******************************************************************************/ MCDETECTOR mcdetector_out_2D_list(char *t, char *xl, char *yl, double x1, double x2, double y1, double y2, long m, long n, double *p0, double *p1, double *p2, char *f, char *c, Coords posa, Rotation rota, char* options, int index) { char xvar[CHAR_BUF_LENGTH]; char yvar[CHAR_BUF_LENGTH]; /* create short axes labels */ if (xl && strlen(xl)) { strncpy(xvar, xl, CHAR_BUF_LENGTH); xvar[2]='\0'; } else strcpy(xvar, "x"); if (yl && strlen(yl)) { strncpy(yvar, yl, CHAR_BUF_LENGTH); yvar[2]='\0'; } else strcpy(yvar, "y"); MCDETECTOR detector; /* import and perform basic detector analysis (and handle MPI_Reduce) */ if (labs(m) == 1) {/* n>1 on Y, m==1 on X: 1D, no X axis*/ detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 1D data"), n, 1, 1, yl, "", "Signal per bin", yvar, "(I,Ierr)", "I", y1, y2, x1, x2, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ } else if (labs(n)==1) {/* m>1 on X, n==1 on Y: 1D, no Y axis*/ detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 1D data"), m, 1, 1, xl, "", "Signal per bin", xvar, "(I,Ierr)", "I", x1, x2, y1, y2, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ }else { detector = detector_import(mcformat, c, (t ? t : MCCODE_STRING " 2D data"), m, n, 1, xl, yl, "Signal per bin", xvar, yvar, "I", x1, x2, y1, y2, 0, 0, f, p0, p1, p2, posa, rota, index); /* write Detector: line */ } MPI_MASTER( if (strlen(options)) { strcpy(detector.options,options); } else { strcpy(detector.options,"None"); } ); if (!detector.p1 || !detector.m) return(detector); #ifdef USE_NEXUS if (strcasestr(detector.format, "NeXus")) return(mcdetector_out_2D_nexus(detector)); else #endif return(mcdetector_out_2D_ascii(detector)); } /* mcdetector_out_2D_list */ /******************************************************************************* * mcdetector_out_list: wrapper for list output (calls out_2D with mcformat+"list"). * m=number of events, n=size of each event *******************************************************************************/ MCDETECTOR mcdetector_out_list(char *t, char *xl, char *yl, long m, long n, double *p1, char *f, char *c, Coords posa, Rotation rota, char* options, int index) { char format_new[CHAR_BUF_LENGTH]; char *format_org; MCDETECTOR detector; format_org = mcformat; strcpy(format_new, mcformat); strcat(format_new, " list"); mcformat = format_new; detector = mcdetector_out_2D_list(t, xl, yl, 1,labs(m),1,labs(n), m,n, NULL, p1, NULL, f, c, posa,rota,options, index); mcformat = format_org; return(detector); } /******************************************************************************* * mcuse_dir: set data/sim storage directory and create it, * or exit with error if exists ******************************************************************************/ static void mcuse_dir(char *dir) { if (!dir || !strlen(dir)) return; #ifdef MC_PORTABLE fprintf(stderr, "Error: " "Directory output cannot be used with portable simulation (mcuse_dir)\n"); exit(1); #else /* !MC_PORTABLE */ /* handle file://directory URL type */ if (strncmp(dir, "file://", strlen("file://"))) dirname = dir; else dirname = dir+strlen("file://"); #ifdef USE_MPI if(mpi_node_rank == mpi_node_root) { #endif int exists=0; DIR* handle = opendir(dirname); if (handle) { /* Directory exists. */ closedir(handle); exists=1; } if(mkdir(dirname, 0777)) { #ifndef DANSE if(!mcappend) { fprintf(stderr, "Error: unable to create directory '%s' (mcuse_dir)\n", dir); fprintf(stderr, "(Maybe the directory already exists?)\n"); #endif #ifdef USE_MPI MPI_Abort(MPI_COMM_WORLD, -1); #endif exit(-1); } } #ifdef USE_MPI } #endif /* remove trailing PATHSEP (if any) */ while (strlen(dirname) && dirname[strlen(dirname) - 1] == MC_PATHSEP_C) dirname[strlen(dirname) - 1]='\0'; #endif /* !MC_PORTABLE */ } /* mcuse_dir */ /******************************************************************************* * mcinfo: display instrument simulation info to stdout and exit *******************************************************************************/ static void mcinfo(void) { fprintf(stdout, "begin instrument: %s\n", instrument_name); mcinfo_out(" ", stdout); fprintf(stdout, "end instrument\n"); fprintf(stdout, "begin simulation: %s\n", dirname ? dirname : "."); mcruninfo_out(" ", stdout); fprintf(stdout, "end simulation\n"); exit(0); /* includes MPI_Finalize in MPI mode */ } /* mcinfo */ /******************************************************************************* * mcparameterinfo: display instrument parameter info to stdout and exit *******************************************************************************/ static void mcparameterinfo(void) { mcparameterinfo_out(" ", stdout); exit(0); /* includes MPI_Finalize in MPI mode */ } /* mcparameterinfo */ #endif /* ndef MCCODE_R_IO_C */ /* end of the I/O section =================================================== */ /******************************************************************************* * mcset_ncount: set total number of rays to generate *******************************************************************************/ void mcset_ncount(unsigned long long int count) { mcncount = count; } /* mcget_ncount: get total number of rays to generate */ unsigned long long int mcget_ncount(void) { return mcncount; } /* mcget_run_num: get curent number of rays */ /* Within the TRACE scope we are now using _particle->uid directly */ unsigned long long int mcget_run_num() // shuld be (_class_particle* _particle) somehow { /* This function only remains for the few cases outside TRACE where we need to know the number of simulated particles */ return mcrun_num; } /* mcsetn_arg: get ncount from a string argument */ static void mcsetn_arg(char *arg) { mcset_ncount((long long int) strtod(arg, NULL)); } /* mcsetseed: set the random generator seed from a string argument */ static void mcsetseed(char *arg) { mcseed = atol(arg); if(!mcseed) { // srandom(mcseed); //} else { fprintf(stderr, "Error: seed must not be zero (mcsetseed)\n"); exit(1); } } /* Following part is only embedded when not redundent with mccode-r.h ========= */ #ifndef MCCODE_H /* SECTION: MCDISPLAY support. =============================================== */ /******************************************************************************* * Just output MCDISPLAY keywords to be caught by an external plotter client. *******************************************************************************/ void mcdis_magnify(char *what){ // Do nothing here, better use interactive zoom from the tools } void mcdis_line(double x1, double y1, double z1, double x2, double y2, double z2){ printf("MCDISPLAY: multiline(2,%g,%g,%g,%g,%g,%g)\n", x1,y1,z1,x2,y2,z2); } void mcdis_dashed_line(double x1, double y1, double z1, double x2, double y2, double z2, int n){ int i; const double dx = (x2-x1)/(2*n+1); const double dy = (y2-y1)/(2*n+1); const double dz = (z2-z1)/(2*n+1); for(i = 0; i < n+1; i++) mcdis_line(x1 + 2*i*dx, y1 + 2*i*dy, z1 + 2*i*dz, x1 + (2*i+1)*dx, y1 + (2*i+1)*dy, z1 + (2*i+1)*dz); } void mcdis_multiline(int count, ...){ va_list ap; double x,y,z; printf("MCDISPLAY: multiline(%d", count); va_start(ap, count); while(count--) { x = va_arg(ap, double); y = va_arg(ap, double); z = va_arg(ap, double); printf(",%g,%g,%g", x, y, z); } va_end(ap); printf(")\n"); } void mcdis_rectangle(char* plane, double x, double y, double z, double width, double height){ /* draws a rectangle in the plane */ /* x is ALWAYS width and y is ALWAYS height */ if (strcmp("xy", plane)==0) { mcdis_multiline(5, x - width/2, y - height/2, z, x + width/2, y - height/2, z, x + width/2, y + height/2, z, x - width/2, y + height/2, z, x - width/2, y - height/2, z); } else if (strcmp("xz", plane)==0) { mcdis_multiline(5, x - width/2, y, z - height/2, x + width/2, y, z - height/2, x + width/2, y, z + height/2, x - width/2, y, z + height/2, x - width/2, y, z - height/2); } else if (strcmp("yz", plane)==0) { mcdis_multiline(5, x, y - height/2, z - width/2, x, y - height/2, z + width/2, x, y + height/2, z + width/2, x, y + height/2, z - width/2, x, y - height/2, z - width/2); } else { fprintf(stderr, "Error: Definition of plane %s unknown\n", plane); exit(1); } } void mcdis_circle(char *plane, double x, double y, double z, double r){ printf("MCDISPLAY: circle('%s',%g,%g,%g,%g)\n", plane, x, y, z, r); } void mcdis_new_circle(double x, double y, double z, double r, double nx, double ny, double nz){ printf("MCDISPLAY: new_circle(%g,%g,%g,%g,%g,%g,%g)\n", x, y, z, r, nx, ny, nz); } /* Draws a circle with center (x,y,z), radius (r), and in the plane * with normal (nx,ny,nz)*/ void mcdis_Circle(double x, double y, double z, double r, double nx, double ny, double nz){ int i; if(nx==0 && ny && nz==0){ for (i=0;i<24; i++){ mcdis_line(x+r*sin(i*2*PI/24),y,z+r*cos(i*2*PI/24), x+r*sin((i+1)*2*PI/24),y,z+r*cos((i+1)*2*PI/24)); } }else{ double mx,my,mz; /*generate perpendicular vector using (nx,ny,nz) and (0,1,0)*/ vec_prod(mx,my,mz, 0,1,0, nx,ny,nz); NORM(mx,my,mz); /*draw circle*/ for (i=0;i<24; i++){ double ux,uy,uz; double wx,wy,wz; rotate(ux,uy,uz, mx,my,mz, i*2*PI/24, nx,ny,nz); rotate(wx,wy,wz, mx,my,mz, (i+1)*2*PI/24, nx,ny,nz); mcdis_line(x+ux*r,y+uy*r,z+uz*r, x+wx*r,y+wy*r,z+wz*r); } } } /* OLD IMPLEMENTATION draws a box with center at (x, y, z) and width (deltax), height (deltay), length (deltaz) */ void mcdis_legacy_box(double x, double y, double z, double width, double height, double length){ mcdis_rectangle("xy", x, y, z-length/2, width, height); mcdis_rectangle("xy", x, y, z+length/2, width, height); mcdis_line(x-width/2, y-height/2, z-length/2, x-width/2, y-height/2, z+length/2); mcdis_line(x-width/2, y+height/2, z-length/2, x-width/2, y+height/2, z+length/2); mcdis_line(x+width/2, y-height/2, z-length/2, x+width/2, y-height/2, z+length/2); mcdis_line(x+width/2, y+height/2, z-length/2, x+width/2, y+height/2, z+length/2); } /* NEW 3D IMPLEMENTATION OF BOX SUPPORTS HOLLOW ALSO draws a box with center at (x, y, z) and width (deltax), height (deltay), length (deltaz) */ void mcdis_box(double x, double y, double z, double width, double height, double length, double thickness, double nx, double ny, double nz){ if (mcdotrace==2) { printf("MCDISPLAY: box(%g,%g,%g,%g,%g,%g,%g,%g,%g,%g)\n", x, y, z, width, height, length, thickness, nx, ny, nz); } else { mcdis_legacy_box(x, y, z, width, height, length); if (thickness) mcdis_legacy_box(x, y, z, width-thickness, height-thickness, length); } } /* OLD IMPLEMENTATION Draws a cylinder with center at (x,y,z) with extent (r,height). * The cylinder axis is along the vector nx,ny,nz. */ void mcdis_legacy_cylinder( double x, double y, double z, double r, double height, int N, double nx, double ny, double nz){ int i; /*no lines make little sense - so trigger the default*/ if(N<=0) N=5; NORM(nx,ny,nz); double h_2=height/2.0; mcdis_Circle(x+nx*h_2,y+ny*h_2,z+nz*h_2,r,nx,ny,nz); mcdis_Circle(x-nx*h_2,y-ny*h_2,z-nz*h_2,r,nx,ny,nz); double mx,my,mz; /*generate perpendicular vector using (nx,ny,nz) and (0,1,0)*/ if(nx==0 && ny && nz==0){ mx=my=0;mz=1; }else{ vec_prod(mx,my,mz, 0,1,0, nx,ny,nz); NORM(mx,my,mz); } /*draw circle*/ for (i=0; i<24; i++){ double ux,uy,uz; rotate(ux,uy,uz, mx,my,mz, i*2*PI/24, nx,ny,nz); mcdis_line(x+nx*h_2+ux*r, y+ny*h_2+uy*r, z+nz*h_2+uz*r, x-nx*h_2+ux*r, y-ny*h_2+uy*r, z-nz*h_2+uz*r); } } /* NEW 3D IMPLEMENTATION ALSO SUPPORTING HOLLOW Draws a cylinder with center at (x,y,z) with extent (r,height). * The cylinder axis is along the vector nx,ny,nz.*/ void mcdis_cylinder( double x, double y, double z, double r, double height, double thickness, double nx, double ny, double nz){ if (mcdotrace==2) { printf("MCDISPLAY: cylinder(%g, %g, %g, %g, %g, %g, %g, %g, %g)\n", x, y, z, r, height, thickness, nx, ny, nz); } else { mcdis_legacy_cylinder(x, y, z, r, height, 12, nx, ny, nz); } } /* Draws a cone with center at (x,y,z) with extent (r,height). * The cone axis is along the vector nx,ny,nz.*/ void mcdis_cone( double x, double y, double z, double r, double height, double nx, double ny, double nz){ if (mcdotrace==2) { printf("MCDISPLAY: cone(%g, %g, %g, %g, %g, %g, %g, %g)\n", x, y, z, r, height, nx, ny, nz); } else { mcdis_Circle(x, y, z, r, nx, ny, nz); mcdis_Circle(x+0.25*height*nx, y+0.25*height*ny, z+0.25*height*nz, 0.75*r, nx, ny, nz); mcdis_Circle(x+0.5*height*nx, y+0.5*height*ny, z+0.5*height*nz, 0.5*r, nx, ny, nz); mcdis_Circle(x+0.75*height*nx, y+0.75*height*ny, z+0.75*height*nz, 0.25*r, nx, ny, nz); mcdis_line(x, y, z, x+height*nx, y+height*ny, z+height*nz); } } /* Draws a disc with center at (x,y,z) with extent (r). * The disc axis is along the vector nx,ny,nz.*/ void mcdis_disc( double x, double y, double z, double r, double nx, double ny, double nz){ printf("MCDISPLAY: disc(%g, %g, %g, %g, %g, %g, %g)\n", x, y, z, r, nx, ny, nz); } /* Draws a annulus with center at (x,y,z) with extent (outer_radius) and remove inner_radius. * The annulus axis is along the vector nx,ny,nz.*/ void mcdis_annulus( double x, double y, double z, double outer_radius, double inner_radius, double nx, double ny, double nz){ printf("MCDISPLAY: annulus(%g, %g, %g, %g, %g, %g, %g, %g)\n", x, y, z, outer_radius, inner_radius, nx, ny, nz); } /* draws a sphere with center at (x,y,z) with extent (r)*/ void mcdis_sphere(double x, double y, double z, double r){ if (mcdotrace==2) { printf("MCDISPLAY: sphere(%g,%g,%g,%g)\n", x, y, z, r); } else { double nx,ny,nz; int i; int N=12; nx=0;ny=0;nz=1; mcdis_Circle(x,y,z,r,nx,ny,nz); for (i=1;i 3) { /* Split in triangles - as many as polygon rank */ faceSize=count; vtxSize=count+1; } else { faceSize=1; vtxSize=count; } for (int i = 0; i < faceSize;) { int num_indices = 3; estimated_size += FACE_OVERHEAD_BASE + num_indices * FACE_INDEX_OVERHEAD; i += num_indices + 1; } char *json_string = malloc(estimated_size); if (json_string == NULL) { fprintf(stderr, "Memory allocation failed.\n"); return; } char *ptr = json_string; ptr += sprintf(ptr, "{ \"vertices\": ["); if (count==3) { // Single, basic triangle ptr += sprintf(ptr, "[%g, %g, %g], [%g, %g, %g], [%g, %g, %g]", x[0], y[0], z[0], x[1], y[1], z[1], x[2], y[2], z[2]); } else { for (int i = 0; i < vtxSize-1; i++) { ptr += sprintf(ptr, "[%g, %g, %g]", x[i], y[i], z[i]); if (i < vtxSize - 2) { ptr += sprintf(ptr, ", "); } else { ptr += sprintf(ptr, ", [%g, %g, %g]", x0, y0, z0); } } } ptr += sprintf(ptr, "], \"faces\": ["); if (count==3) { // Single, basic triangle, 1 face... ptr += sprintf(ptr, "{ \"face\": ["); ptr += sprintf(ptr, "0, 1, 2"); ptr += sprintf(ptr, "]}"); } else { for (int i = 0; i < faceSize; i++) { int num = 3; ptr += sprintf(ptr, "{ \"face\": ["); if (i < faceSize - 1) { ptr += sprintf(ptr, "%d, %d, %d",i,i+1,count); } else { ptr += sprintf(ptr, "%d, %d, %d",i,count,0); } ptr += sprintf(ptr, "]}"); if (i < faceSize-1) { ptr += sprintf(ptr, ", "); } } } ptr += sprintf(ptr, "]}"); mcdis_polyhedron(json_string); free(json_string); } free(x);free(y);free(z); } /* END NEW POLYGON IMPLEMENTATION*/ /* void mcdis_polygon(double x1, double y1, double z1, double x2, double y2, double z2){ printf("MCDISPLAY: polygon(2,%g,%g,%g,%g,%g,%g)\n", x1,y1,z1,x2,y2,z2); } */ /* SECTION: coordinates handling ============================================ */ /******************************************************************************* * Since we use a lot of geometric calculations using Cartesian coordinates, * we collect some useful routines here. However, it is also permissible to * work directly on the underlying struct coords whenever that is most * convenient (that is, the type Coords is not abstract). * * Coordinates are also used to store rotation angles around x/y/z axis. * * Since coordinates are used much like a basic type (such as double), the * structure itself is passed and returned, rather than a pointer. * * At compile-time, the values of the coordinates may be unknown (for example * a motor position). Hence coordinates are general expressions and not simple * numbers. For this we used the type Coords_exp which has three CExp * fields. For runtime (or calculations possible at compile time), we use * Coords which contains three double fields. *******************************************************************************/ /* coords_set: Assign coordinates. */ Coords coords_set(MCNUM x, MCNUM y, MCNUM z) { Coords a; a.x = x; a.y = y; a.z = z; return a; } /* coords_get: get coordinates. Required when 'x','y','z' are #defined as ray pars */ Coords coords_get(Coords a, MCNUM *x, MCNUM *y, MCNUM *z) { *x = a.x; *y = a.y; *z = a.z; return a; } /* coords_add: Add two coordinates. */ Coords coords_add(Coords a, Coords b) { Coords c; c.x = a.x + b.x; c.y = a.y + b.y; c.z = a.z + b.z; if (fabs(c.z) < 1e-14) c.z=0.0; return c; } /* coords_sub: Subtract two coordinates. */ Coords coords_sub(Coords a, Coords b) { Coords c; c.x = a.x - b.x; c.y = a.y - b.y; c.z = a.z - b.z; if (fabs(c.z) < 1e-14) c.z=0.0; return c; } /* coords_neg: Negate coordinates. */ Coords coords_neg(Coords a) { Coords b; b.x = -a.x; b.y = -a.y; b.z = -a.z; return b; } /* coords_scale: Scale a vector. */ Coords coords_scale(Coords b, double scale) { Coords a; a.x = b.x*scale; a.y = b.y*scale; a.z = b.z*scale; return a; } /* coords_sp: Scalar product: a . b */ double coords_sp(Coords a, Coords b) { double value; value = a.x*b.x + a.y*b.y + a.z*b.z; return value; } /* coords_xp: Cross product: a = b x c. */ Coords coords_xp(Coords b, Coords c) { Coords a; a.x = b.y*c.z - c.y*b.z; a.y = b.z*c.x - c.z*b.x; a.z = b.x*c.y - c.x*b.y; return a; } /* coords_len: Gives length of coords set. */ double coords_len(Coords a) { return sqrt(a.x*a.x + a.y*a.y + a.z*a.z); } /* coords_mirror: Mirror a in plane (through the origin) defined by normal n*/ Coords coords_mirror(Coords a, Coords n) { double t = scalar_prod(n.x, n.y, n.z, n.x, n.y, n.z); Coords b; if (t!=1) { t = sqrt(t); n.x /= t; n.y /= t; n.z /= t; } t=scalar_prod(a.x, a.y, a.z, n.x, n.y, n.z); b.x = a.x-2*t*n.x; b.y = a.y-2*t*n.y; b.z = a.z-2*t*n.z; return b; } /* coords_print: Print out vector values. */ void coords_print(Coords a) { #ifndef OPENACC fprintf(stdout, "(%f, %f, %f)\n", a.x, a.y, a.z); #endif return; } mcstatic void coords_norm(Coords* c) { double temp = coords_sp(*c,*c); // Skip if we will end dividing by zero if (temp == 0) return; temp = sqrt(temp); c->x /= temp; c->y /= temp; c->z /= temp; } /* coords_test_zero: check if zero vector*/ int coords_test_zero(Coords a){ return ( a.x==0 && a.y==0 && a.z==0 ); } /******************************************************************************* * The Rotation type implements a rotation transformation of a coordinate * system in the form of a double[3][3] matrix. * * Contrary to the Coords type in coords.c, rotations are passed by * reference. Functions that yield new rotations do so by writing to an * explicit result parameter; rotations are not returned from functions. The * reason for this is that arrays cannot by returned from functions (though * structures can; thus an alternative would have been to wrap the * double[3][3] array up in a struct). Such are the ways of C programming. * * A rotation represents the tranformation of the coordinates of a vector when * changing between coordinate systems that are rotated with respect to each * other. For example, suppose that coordinate system Q is rotated 45 degrees * around the Z axis with respect to coordinate system P. Let T be the * rotation transformation representing a 45 degree rotation around Z. Then to * get the coordinates of a vector r in system Q, apply T to the coordinates * of r in P. If r=(1,0,0) in P, it will be (sqrt(1/2),-sqrt(1/2),0) in * Q. Thus we should be careful when interpreting the sign of rotation angles: * they represent the rotation of the coordinate systems, not of the * coordinates (which has opposite sign). *******************************************************************************/ /******************************************************************************* * rot_set_rotation: Get transformation for rotation first phx around x axis, * then phy around y, then phz around z. *******************************************************************************/ void rot_set_rotation(Rotation t, double phx, double phy, double phz) { if ((phx == 0) && (phy == 0) && (phz == 0)) { t[0][0] = 1.0; t[0][1] = 0.0; t[0][2] = 0.0; t[1][0] = 0.0; t[1][1] = 1.0; t[1][2] = 0.0; t[2][0] = 0.0; t[2][1] = 0.0; t[2][2] = 1.0; } else { double cx = cos(phx); double sx = sin(phx); double cy = cos(phy); double sy = sin(phy); double cz = cos(phz); double sz = sin(phz); t[0][0] = cy*cz; t[0][1] = sx*sy*cz + cx*sz; t[0][2] = sx*sz - cx*sy*cz; t[1][0] = -cy*sz; t[1][1] = cx*cz - sx*sy*sz; t[1][2] = sx*cz + cx*sy*sz; t[2][0] = sy; t[2][1] = -sx*cy; t[2][2] = cx*cy; } } /******************************************************************************* * rot_test_identity: Test if rotation is identity *******************************************************************************/ int rot_test_identity(Rotation t) { return (t[0][0] + t[1][1] + t[2][2] == 3); } /******************************************************************************* * rot_mul: Matrix multiplication of transformations (this corresponds to * combining transformations). After rot_mul(T1, T2, T3), doing T3 is * equal to doing first T2, then T1. * Note that T3 must not alias (use the same array as) T1 or T2. *******************************************************************************/ void rot_mul(Rotation t1, Rotation t2, Rotation t3) { if (rot_test_identity(t1)) { rot_copy(t3, t2); } else if (rot_test_identity(t2)) { rot_copy(t3, t1); } else { int i,j; for(i = 0; i < 3; i++) for(j = 0; j < 3; j++) t3[i][j] = t1[i][0]*t2[0][j] + t1[i][1]*t2[1][j] + t1[i][2]*t2[2][j]; } } /******************************************************************************* * rot_copy: Copy a rotation transformation (arrays cannot be assigned in C). *******************************************************************************/ void rot_copy(Rotation dest, Rotation src) { int i,j; for(i = 0; i < 3; i++) for(j = 0; j < 3; j++) dest[i][j] = src[i][j]; } /******************************************************************************* * rot_transpose: Matrix transposition, which is inversion for Rotation matrices *******************************************************************************/ void rot_transpose(Rotation src, Rotation dst) { dst[0][0] = src[0][0]; dst[0][1] = src[1][0]; dst[0][2] = src[2][0]; dst[1][0] = src[0][1]; dst[1][1] = src[1][1]; dst[1][2] = src[2][1]; dst[2][0] = src[0][2]; dst[2][1] = src[1][2]; dst[2][2] = src[2][2]; } /******************************************************************************* * rot_apply: returns t*a *******************************************************************************/ Coords rot_apply(Rotation t, Coords a) { Coords b; if (rot_test_identity(t)) { return a; } else { b.x = t[0][0]*a.x + t[0][1]*a.y + t[0][2]*a.z; b.y = t[1][0]*a.x + t[1][1]*a.y + t[1][2]*a.z; b.z = t[2][0]*a.x + t[2][1]*a.y + t[2][2]*a.z; return b; } } /** * Pretty-printing of rotation matrices. */ void rot_print(Rotation rot) { printf("[ %4.2f %4.2f %4.2f ]\n", rot[0][0], rot[0][1], rot[0][2]); printf("[ %4.2f %4.2f %4.2f ]\n", rot[1][0], rot[1][1], rot[1][2]); printf("[ %4.2f %4.2f %4.2f ]\n\n", rot[2][0], rot[2][1], rot[2][2]); } /** * Vector product: used by vec_prod (mccode-r.h). Use coords_xp for Coords. */ void vec_prod_func(double *x, double *y, double *z, double x1, double y1, double z1, double x2, double y2, double z2) { *x = (y1)*(z2) - (y2)*(z1); *y = (z1)*(x2) - (z2)*(x1); *z = (x1)*(y2) - (x2)*(y1); } /** * Scalar product: use coords_sp for Coords. */ double scalar_prod( double x1, double y1, double z1, double x2, double y2, double z2) { return ((x1 * x2) + (y1 * y2) + (z1 * z2)); } mcstatic void norm_func(double *x, double *y, double *z) { double temp = (*x * *x) + (*y * *y) + (*z * *z); if (temp != 0) { temp = sqrt(temp); *x /= temp; *y /= temp; *z /= temp; } } /* SECTION: GPU algorithms ================================================== */ /* * Divide-and-conquer strategy for parallelizing this task: Sort absorbed * particles last. * * particles: the particle array, required to checking _absorbed * pbuffer: same-size particle buffer array required for parallel sort * len: sorting area-of-interest size (e.g. from previous calls) * buffer_len: total array size * flag_split: if set, multiply live particles into absorbed slots, up to buffer_len * multiplier: output arg, becomes the SPLIT multiplier if flag_split is set */ #ifdef FUNNEL long sort_absorb_last(_class_particle* particles, _class_particle* pbuffer, long len, long buffer_len, long flag_split, long* multiplier) { #define SAL_THREADS 1024 // num parallel sections if (len_absorbed)); // return (no SPLIT) if (flag_split != 1) return accumlen; // SPLIT - repeat the non-absorbed block N-1 times, where len % accumlen = N + R int mult = buffer_len / accumlen; // TODO: possibly use a new arg, bufferlen, rather than len // not enough space for full-block split, return if (mult <= 1) return accumlen; // copy non-absorbed block #pragma acc parallel loop present(particles[0:buffer_len]) for (long tidx = 0; tidx < accumlen; tidx++) { // tidx: thread index randstate_t randstate[7]; _class_particle sourcebuffer; _class_particle targetbuffer; // assign reduced weight to all particles particles[tidx].p=particles[tidx].p/mult; #pragma acc loop seq for (long bidx = 1; bidx < mult; bidx++) { // bidx: block index // preserve absorbed particle (for randstate) sourcebuffer = particles[bidx*accumlen + tidx]; // buffer full particle struct targetbuffer = particles[tidx]; // reassign previous randstate targetbuffer.randstate[0] = sourcebuffer.randstate[0]; targetbuffer.randstate[1] = sourcebuffer.randstate[1]; targetbuffer.randstate[2] = sourcebuffer.randstate[2]; targetbuffer.randstate[3] = sourcebuffer.randstate[3]; targetbuffer.randstate[4] = sourcebuffer.randstate[4]; targetbuffer.randstate[5] = sourcebuffer.randstate[5]; targetbuffer.randstate[6] = sourcebuffer.randstate[6]; // apply particles[bidx*accumlen + tidx] = targetbuffer; } } // set out split multiplier value *multiplier = mult; // return expanded array size return accumlen * mult; } #endif /* * Fallback serial version of the one above. */ long sort_absorb_last_serial(_class_particle* particles, long len) { long i = 0; long j = len - 1; _class_particle pbuffer; // bubble while (i < j) { while (!particles[i]._absorbed && ix; b.y = particle->y; b.z = particle->z; c = rot_apply(t, b); b = coords_add(c, a); particle->x = b.x; particle->y = b.y; particle->z = b.z; #if MCCODE_PARTICLE_CODE == 2112 if (particle->vz != 0.0 || particle->vx != 0.0 || particle->vy != 0.0) mccoordschange_polarisation(t, &(particle->vx), &(particle->vy), &(particle->vz)); if (particle->sz != 0.0 || particle->sx != 0.0 || particle->sy != 0.0) mccoordschange_polarisation(t, &(particle->sx), &(particle->sy), &(particle->sz)); #elif MCCODE_PARTICLE_CODE == 22 if (particle->kz != 0.0 || particle->kx != 0.0 || particle->ky != 0.0) mccoordschange_polarisation(t, &(particle->kx), &(particle->ky), &(particle->kz)); if (particle->Ez != 0.0 || particle->Ex != 0.0 || particle->Ey != 0.0) mccoordschange_polarisation(t, &(particle->Ex), &(particle->Ey), &(particle->Ez)); #endif } /******************************************************************************* * mccoordschange_polarisation: applies rotation to vector (sx sy sz) *******************************************************************************/ void mccoordschange_polarisation(Rotation t, double *sx, double *sy, double *sz) { Coords b, c; b.x = *sx; b.y = *sy; b.z = *sz; c = rot_apply(t, b); *sx = c.x; *sy = c.y; *sz = c.z; } /* SECTION: vector math ==================================================== */ /* normal_vec_func: Compute normal vector to (x,y,z). */ void normal_vec(double *nx, double *ny, double *nz, double x, double y, double z) { double ax = fabs(x); double ay = fabs(y); double az = fabs(z); double l; if(x == 0 && y == 0 && z == 0) { *nx = 0; *ny = 0; *nz = 0; return; } if(ax < ay) { if(ax < az) { /* Use X axis */ l = sqrt(z*z + y*y); *nx = 0; *ny = z/l; *nz = -y/l; return; } } else { if(ay < az) { /* Use Y axis */ l = sqrt(z*z + x*x); *nx = z/l; *ny = 0; *nz = -x/l; return; } } /* Use Z axis */ l = sqrt(y*y + x*x); *nx = y/l; *ny = -x/l; *nz = 0; } /* normal_vec */ /******************************************************************************* * solve_2nd_order: second order equation solve: A*t^2 + B*t + C = 0 * solve_2nd_order(&t1, NULL, A,B,C) * returns 0 if no solution was found, or set 't1' to the smallest positive * solution. * solve_2nd_order(&t1, &t2, A,B,C) * same as with &t2=NULL, but also returns the second solution. * EXAMPLE usage for intersection of a trajectory with a plane in gravitation * field (gx,gy,gz): * The neutron starts at point r=(x,y,z) with velocityv=(vx vy vz). The plane * has a normal vector n=(nx,ny,nz) and contains the point W=(wx,wy,wz). * The problem consists in solving the 2nd order equation: * 1/2.n.g.t^2 + n.v.t + n.(r-W) = 0 * so that A = 0.5 n.g; B = n.v; C = n.(r-W); * Without acceleration, t=-n.(r-W)/n.v ******************************************************************************/ int solve_2nd_order_old(double *t1, double *t2, double A, double B, double C) { int ret=0; if (!t1) return 0; *t1 = 0; if (t2) *t2=0; if (fabs(A) < 1E-10) /* approximate to linear equation: A ~ 0 */ { if (B) { *t1 = -C/B; ret=1; if (t2) *t2=*t1; } /* else no intersection: A=B=0 ret=0 */ } else { double D; D = B*B - 4*A*C; if (D >= 0) /* Delta > 0: two solutions */ { double sD, dt1, dt2; sD = sqrt(D); dt1 = (-B + sD)/2/A; dt2 = (-B - sD)/2/A; /* we identify very small values with zero */ if (fabs(dt1) < 1e-10) dt1=0.0; if (fabs(dt2) < 1e-10) dt2=0.0; /* now we choose the smallest positive solution */ if (dt1<=0.0 && dt2>0.0) ret=2; /* dt2 positive */ else if (dt2<=0.0 && dt1>0.0) ret=1; /* dt1 positive */ else if (dt1> 0.0 && dt2>0.0) { if (dt1 < dt2) ret=1; else ret=2; } /* all positive: min(dt1,dt2) */ /* else two solutions are negative. ret=-1 */ if (ret==1) { *t1 = dt1; if (t2) *t2=dt2; } else { *t1 = dt2; if (t2) *t2=dt1; } ret=2; /* found 2 solutions and t1 is the positive one */ } /* else Delta <0: no intersection. ret=0 */ } return(ret); } /* solve_2nd_order */ int solve_2nd_order(double *t0, double *t1, double A, double B, double C){ int retval=0; double sign=copysign(1.0,B); double dt0,dt1; dt0=0; dt1=0; if(t1){ *t1=0;} /*protect against rounding errors by locally equating DBL_EPSILON with 0*/ if (fabs(A)=0){ dt0=(-B - sign*sqrt(B*B-4*A*C))/(2*A); dt1=C/(A*dt0); retval=2; }else{ /*no real roots*/ retval=0; } } /*sort the solutions*/ if (retval==1){ /*put both solutions in t0 and t1*/ *t0=dt0; if(t1) *t1=dt1; }else{ /*we have two solutions*/ /*swap if both are positive and t1 smaller than t0 or t1 the only positive*/ int swap=0; if(dt1>0 && ( dt1) * * If height or width is zero, choose random direction in full 4PI, no target. * * Traditionally, this routine had the name randvec_target_rect - this is now a * a define (see mcstas-r.h) pointing here. If you use the old rouine, you are NOT * taking the local emmission coordinate into account. *******************************************************************************/ void _randvec_target_rect_real(double *xo, double *yo, double *zo, double *solid_angle, double xi, double yi, double zi, double width, double height, Rotation A, double lx, double ly, double lz, int order, _class_particle* _particle) { double dx, dy, dist, dist_p, nx, ny, nz, mx, my, mz, n_norm, m_norm; double cos_theta; Coords tmp; Rotation Ainverse; rot_transpose(A, Ainverse); if(height == 0.0 || width == 0.0) { randvec_target_circle(xo, yo, zo, solid_angle, xi, yi, zi, 0); return; } else { /* Now choose point uniformly on rectangle within width x height */ dx = width*randpm1()/2.0; dy = height*randpm1()/2.0; /* Determine distance to target plane*/ dist = sqrt(xi*xi + yi*yi + zi*zi); /* Go to global coordinate system */ tmp = coords_set(xi, yi, zi); tmp = rot_apply(Ainverse, tmp); coords_get(tmp, &xi, &yi, &zi); /* Determine vector normal to trajectory axis (z) and gravity [0 1 0] */ vec_prod(nx, ny, nz, xi, yi, zi, 0, 1, 0); /* This now defines the x-axis, normalize: */ n_norm=sqrt(nx*nx + ny*ny + nz*nz); nx = nx/n_norm; ny = ny/n_norm; nz = nz/n_norm; /* Now, determine our y-axis (vertical in many cases...) */ vec_prod(mx, my, mz, xi, yi, zi, nx, ny, nz); m_norm=sqrt(mx*mx + my*my + mz*mz); mx = mx/m_norm; my = my/m_norm; mz = mz/m_norm; /* Our output, random vector can now be defined by linear combination: */ *xo = xi + dx * nx + dy * mx; *yo = yi + dx * ny + dy * my; *zo = zi + dx * nz + dy * mz; /* Go back to local coordinate system */ tmp = coords_set(*xo, *yo, *zo); tmp = rot_apply(A, tmp); coords_get(tmp, &*xo, &*yo, &*zo); /* Go back to local coordinate system */ tmp = coords_set(xi, yi, zi); tmp = rot_apply(A, tmp); coords_get(tmp, &xi, &yi, &zi); if (solid_angle) { /* Calculate vector from local point to remote random point */ lx = *xo - lx; ly = *yo - ly; lz = *zo - lz; dist_p = sqrt(lx*lx + ly*ly + lz*lz); /* Adjust the 'solid angle' */ /* 1/r^2 to the chosen point times cos(\theta) between the normal */ /* vector of the target rectangle and direction vector of the chosen point. */ cos_theta = (xi * lx + yi * ly + zi * lz) / (dist * dist_p); *solid_angle = width * height / (dist_p * dist_p); int counter; for (counter = 0; counter < order; counter++) { *solid_angle = *solid_angle * cos_theta; } } } } /* randvec_target_rect_real */ /* SECTION: random numbers ================================================== How to add a new RNG: - Use an rng with a manegable state vector, e.g. of lengt 4 or 7. The state will sit on the particle struct as a "randstate_t state[RANDSTATE_LEN]" - If the rng has a long state (as MT), set an empty "srandom" and initialize it explicitly using the appropriate define (RNG_ALG) - Add a seed and a random function (the transforms will be reused) - Write the proper defines in mccode-r.h, e.g. randstate_t and RANDSTATE_LEN, srandom and random. - Compile using -DRNG_ALG= ============================================================================= */ /* "Mersenne Twister", by Makoto Matsumoto and Takuji Nishimura. */ /* See http://www.math.keio.ac.jp/~matumoto/emt.html for original source. */ /* A C-program for MT19937, with initialization improved 2002/1/26. Coded by Takuji Nishimura and Makoto Matsumoto. Before using, initialize the state by using mt_srandom(seed) or init_by_array(init_key, key_length). Copyright (C) 1997 - 2002, Makoto Matsumoto and Takuji Nishimura, All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. 3. The names of its contributors may not be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. Any feedback is very welcome. http://www.math.keio.ac.jp/matumoto/emt.html email: matumoto@math.keio.ac.jp */ #include #include // for uint32_t #include // for size_t /* Period parameters */ #define N 624 #define M 397 #define MATRIX_A 0x9908b0dfU /* constant vector a */ #define UPPER_MASK 0x80000000U /* most significant w-r bits */ #define LOWER_MASK 0x7fffffffU /* least significant r bits */ static uint32_t mt[N]; /* the array for the state vector */ static int mti = N + 1; /* mti==N+1 means mt[N] is not initialized */ // Required for compatibility with common RNG interface (e.g., kiss/mt polymorphism) void mt_srandom_empty(void) {} // Initializes mt[N] with a seed void mt_srandom(uint32_t seed) { mt[0] = seed; for (mti = 1; mti < N; mti++) { mt[mti] = 1812433253U * (mt[mti-1] ^ (mt[mti-1] >> 30)) + mti; /* See Knuth TAOCP Vol2. 3rd Ed. P.106 for multiplier. */ /* In the previous versions, MSBs of the seed affect */ /* only MSBs of the array mt[]. */ /* 2002/01/09 modified by Makoto Matsumoto */ mt[mti] &= 0xffffffffU; /* for >32 bit machines */ } } /* Initialize by an array with array-length. Init_key is the array for initializing keys. key_length is its length. */ void init_by_array(uint32_t init_key[], size_t key_length) { size_t i = 1, j = 0, k; mt_srandom(19650218U); k = (N > key_length ? N : key_length); for (; k; k--) { mt[i] = (mt[i] ^ ((mt[i-1] ^ (mt[i-1] >> 30)) * 1664525U)) + init_key[j] + (uint32_t)j; mt[i] &= 0xffffffffU; i++; j++; if (i >= N) { mt[0] = mt[N - 1]; i = 1; } if (j >= key_length) j = 0; } for (k = N - 1; k; k--) { mt[i] = (mt[i] ^ ((mt[i-1] ^ (mt[i-1] >> 30)) * 1566083941U)) - (uint32_t)i; mt[i] &= 0xffffffffU; i++; if (i >= N) { mt[0] = mt[N - 1]; i = 1; } } mt[0] = 0x80000000U; /* MSB is 1; ensuring non-zero initial array */ } // Generates a random number on [0, 0xffffffff]-interval uint32_t mt_random(void) { uint32_t y; static const uint32_t mag01[2] = { 0x0U, MATRIX_A }; /* mag01[x] = x * MATRIX_A for x=0,1 */ if (mti >= N) { /* generate N words at one time */ int kk; if (mti == N + 1) /* if mt_srandom() has not been called, */ mt_srandom(5489U); /* a default initial seed is used */ for (kk = 0; kk < N - M; kk++) { y = (mt[kk] & UPPER_MASK) | (mt[kk + 1] & LOWER_MASK); mt[kk] = mt[kk + M] ^ (y >> 1) ^ mag01[y & 0x1U]; } for (; kk < N - 1; kk++) { y = (mt[kk] & UPPER_MASK) | (mt[kk + 1] & LOWER_MASK); mt[kk] = mt[kk + (M - N)] ^ (y >> 1) ^ mag01[y & 0x1U]; } y = (mt[N - 1] & UPPER_MASK) | (mt[0] & LOWER_MASK); mt[N - 1] = mt[M - 1] ^ (y >> 1) ^ mag01[y & 0x1U]; mti = 0; } y = mt[mti++]; /* Tempering */ y ^= (y >> 11); y ^= (y << 7) & 0x9d2c5680U; y ^= (y << 15) & 0xefc60000U; y ^= (y >> 18); return y; } #undef N #undef M #undef MATRIX_A #undef UPPER_MASK #undef LOWER_MASK /* End of "Mersenne Twister". */ /* KISS From: http://www.helsbreth.org/random/rng_kiss.html Scott Nelson 1999 Based on Marsaglia's KISS or (KISS+SWB) KISS - Keep it Simple Stupid PRNG the idea is to use simple, fast, individually promising generators to get a composite that will be fast, easy to code have a very long period and pass all the tests put to it. The three components of KISS are x(n)=a*x(n-1)+1 mod 2^32 y(n)=y(n-1)(I+L^13)(I+R^17)(I+L^5), z(n)=2*z(n-1)+z(n-2) +carry mod 2^32 The y's are a shift register sequence on 32bit binary vectors period 2^32-1; The z's are a simple multiply-with-carry sequence with period 2^63+2^32-1. The period of KISS is thus 2^32*(2^32-1)*(2^63+2^32-1) > 2^127 In 2025 adapted for consistent 64-bit behavior across platforms. */ /* the KISS state is stored as a vector of 7 uint64_t */ /* 0 1 2 3 4 5 6 */ /* [ x, y, z, w, carry, k, m ] */ uint64_t *kiss_srandom(uint64_t state[7], uint64_t seed) { if (seed == 0) seed = 1ull; state[0] = seed | 1ull; // x state[1] = seed | 2ull; // y state[2] = seed | 4ull; // z state[3] = seed | 8ull; // w state[4] = 0ull; // carry state[5] = 0ull; // k state[6] = 0ull; // m return state; } uint64_t kiss_random(uint64_t state[7]) { // Linear congruential generator state[0] = state[0] * 69069ull + 1ull; // Xorshift state[1] ^= state[1] << 13ull; state[1] ^= state[1] >> 17ull; state[1] ^= state[1] << 5ull; // Multiply-with-carry state[5] = (state[2] >> 2ull) + (state[3] >> 3ull) + (state[4] >> 2ull); state[6] = state[3] + state[3] + state[2] + state[4]; state[2] = state[3]; state[3] = state[6]; state[4] = state[5] >> 62ull; // Top bit of carry (adjusted for 64-bit) return state[0] + state[1] + state[3]; } /* end of "KISS" rng */ /* FAST KISS in another implementation (Hundt) */ ////////////////////////////////////////////////////////////////////////////// // fast keep it simple stupid generator ////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////// // Thomas Mueller hash for initialization of rngs // http://stackoverflow.com/questions/664014/ // what-integer-hash-function-are-good-that-accepts-an-integer-hash-key ////////////////////////////////////////////////////////////////////////////// randstate_t _hash(randstate_t x) { x = ((x >> 16) ^ x) * (randstate_t)0x45d9f3b; x = ((x >> 16) ^ x) * (randstate_t)0x45d9f3b; x = ((x >> 16) ^ x); return x; } // SECTION: random number transforms ========================================== // generate a random number from normal law double _randnorm(randstate_t* state) { static double v1, v2, s; /* removing static breaks comparison with McStas <= 2.5 */ static int phase = 0; double X, u1, u2; if(phase == 0) { do { u1 = _rand01(state); u2 = _rand01(state); v1 = 2*u1 - 1; v2 = 2*u2 - 1; s = v1*v1 + v2*v2; } while(s >= 1 || s == 0); X = v1*sqrt(-2*log(s)/s); } else { X = v2*sqrt(-2*log(s)/s); } phase = 1 - phase; return X; } // another one double _randnorm2(randstate_t* state) { double x, y, r; do { x = 2.0 * _rand01(state) - 1.0; y = 2.0 * _rand01(state) - 1.0; r = x*x + y*y; } while (r == 0.0 || r >= 1.0); return x * sqrt((-2.0 * log(r)) / r); } // Generate a random number from -1 to 1 with triangle distribution double _randtriangle(randstate_t* state) { double randnum = _rand01(state); if (randnum>0.5) return(1-sqrt(2*(randnum-0.5))); else return(sqrt(2*randnum)-1); } double _rand01(randstate_t* state) { double randnum; randnum = (double) _random(); // TODO: can we mult instead of div? randnum /= (double) MC_RAND_MAX + 1; return randnum; } // Return a random number between 1 and -1 double _randpm1(randstate_t* state) { double randnum; randnum = (double) _random(); randnum /= ((double) MC_RAND_MAX + 1) / 2; randnum -= 1; return randnum; } // Return a random number between 0 and max. double _rand0max(double max, randstate_t* state) { double randnum; randnum = (double) _random(); randnum /= ((double) MC_RAND_MAX + 1) / max; return randnum; } // Return a random number between min and max. double _randminmax(double min, double max, randstate_t* state) { return _rand0max(max - min, state) + max; } /* SECTION: main and signal handlers ======================================== */ /******************************************************************************* * mchelp: displays instrument executable help with possible options *******************************************************************************/ static void mchelp(char *pgmname) { int i; fprintf(stderr, "%s (%s) instrument simulation, generated with " MCCODE_STRING " (" MCCODE_DATE ")\n", instrument_name, instrument_source); fprintf(stderr, "Usage: %s [options] [parm=value ...]\n", pgmname); fprintf(stderr, "Options are:\n" " -s SEED --seed=SEED Set random seed (must be != 0)\n" " -n COUNT --ncount=COUNT Set number of particles to simulate.\n" " -d DIR --dir=DIR Put all data files in directory DIR.\n" " -a --append Append data files to those in directory DIR.\n" " -t --trace Enable trace of " MCCODE_PARTICLE "s through instrument.\n" " (Use -t=2 or --trace=2 for modernised mcdisplay rendering)\n" " -g --gravitation Enable gravitation for all trajectories.\n" " --no-output-files Do not write any data files.\n" " -h --help Show this help message.\n" " -i --info Detailed instrument information.\n" " --list-parameters Print the instrument parameters to standard out\n" " -y --yes Assume default values for all parameters with a default\n" " --meta-list Print names of components which defined metadata\n" " --meta-defined COMP[:NAME] Print component defined metadata names, or (0,1) if NAME provided\n" " --meta-type COMP:NAME Print metadata format type specified in definition\n" " --meta-data COMP:NAME Print the metadata text\n" " --source Show the instrument code which was compiled.\n" #ifdef OPENACC "\n" " --vecsize OpenACC vector-size (default: 128)\n" " --numgangs Number of OpenACC gangs (default: 7813)\n" " --gpu_innerloop Maximum rays to process pr. OpenACC \n" " kernel run (default: 2147483647)\n" "\n" #endif "\n" " --bufsiz Monitor_nD list/buffer-size (default: 1000000)\n" " --format=FORMAT Output data files using FORMAT=" FLAVOR_UPPER #ifdef USE_NEXUS " NEXUS\n" " --IDF Embed an xml-formatted IDF instrument definition\n" " in the NeXus file (if existent in .)\n\n" #else "\n\n" #endif ); #ifdef USE_MPI fprintf(stderr, "This instrument has been compiled with MPI support.\n Use 'mpirun %s [options] [parm=value ...]'.\n", pgmname); #endif #ifdef OPENACC fprintf(stderr, "This instrument has been compiled with NVIDIA GPU support through OpenACC.\n Running on systems without such devices will lead to segfaults.\nFurter, fprintf, sprintf and printf have been removed from any component TRACE.\n"); #endif if(numipar > 0) { fprintf(stderr, "Instrument parameters are:\n"); for(i = 0; i < numipar; i++) if (mcinputtable[i].val && strlen(mcinputtable[i].val)) fprintf(stderr, " %-16s(%s) [default='%s']\n", mcinputtable[i].name, (*mcinputtypes[mcinputtable[i].type].parminfo)(mcinputtable[i].name), mcinputtable[i].val); else fprintf(stderr, " %-16s(%s)\n", mcinputtable[i].name, (*mcinputtypes[mcinputtable[i].type].parminfo)(mcinputtable[i].name)); } #ifndef NOSIGNALS fprintf(stderr, "Known signals are: " #ifdef SIGUSR1 "USR1 (status) " #endif #ifdef SIGUSR2 "USR2 (save) " #endif #ifdef SIGBREAK "BREAK (save) " #endif #ifdef SIGTERM "TERM (save and exit)" #endif "\n"); #endif /* !NOSIGNALS */ } /* mchelp */ /* mcshowhelp: show help and exit with 0 */ static void mcshowhelp(char *pgmname) { mchelp(pgmname); exit(0); } /* mcusage: display usage when error in input arguments and exit with 1 */ static void mcusage(char *pgmname) { fprintf(stderr, "Error: incorrect command line arguments\n"); mchelp(pgmname); exit(1); } /* mcenabletrace: enable trace/mcdisplay or error if requires recompile */ static void mcenabletrace(int mode) { if(traceenabled) { mcdotrace = mode; #pragma acc update device ( mcdotrace ) } else { if (mode>0) { fprintf(stderr, "Error: trace not enabled (mcenabletrace)\n" "Please re-run the " MCCODE_NAME " compiler " "with the --trace option, or rerun the\n" "C compiler with the MC_TRACE_ENABLED macro defined.\n"); exit(1); } } } /******************************************************************************* * mcreadparams: request parameters from the prompt (or use default) *******************************************************************************/ void mcreadparams(void) { int i,j,status; static char buf[CHAR_BUF_LENGTH]; char *p; int len; MPI_MASTER(printf("Instrument parameters for %s (%s)\n", instrument_name, instrument_source)); for(i = 0; mcinputtable[i].name != 0; i++) { do { MPI_MASTER( if (mcinputtable[i].val && strlen(mcinputtable[i].val)) printf("Set value of instrument parameter %s (%s) [default='%s']:\n", mcinputtable[i].name, (*mcinputtypes[mcinputtable[i].type].parminfo) (mcinputtable[i].name), mcinputtable[i].val); else printf("Set value of instrument parameter %s (%s):\n", mcinputtable[i].name, (*mcinputtypes[mcinputtable[i].type].parminfo) (mcinputtable[i].name)); fflush(stdout); ); #ifdef USE_MPI if(mpi_node_rank == mpi_node_root) { p = fgets(buf, CHAR_BUF_LENGTH, stdin); if(p == NULL) { fprintf(stderr, "Error: empty input for paramater %s (mcreadparams)\n", mcinputtable[i].name); exit(1); } } else p = buf; MPI_Bcast(buf, CHAR_BUF_LENGTH, MPI_CHAR, mpi_node_root, MPI_COMM_WORLD); #else /* !USE_MPI */ p = fgets(buf, CHAR_BUF_LENGTH, stdin); if(p == NULL) { fprintf(stderr, "Error: empty input for paramater %s (mcreadparams)\n", mcinputtable[i].name); exit(1); } #endif /* USE_MPI */ len = strlen(buf); if (!len || (len == 1 && (buf[0] == '\n' || buf[0] == '\r'))) { if (mcinputtable[i].val && strlen(mcinputtable[i].val)) { strncpy(buf, mcinputtable[i].val, CHAR_BUF_LENGTH); /* use default value */ len = strlen(buf); } } for(j = 0; j < 2; j++) { if(len > 0 && (buf[len - 1] == '\n' || buf[len - 1] == '\r')) { len--; buf[len] = '\0'; } } status = (*mcinputtypes[mcinputtable[i].type].getparm) (buf, mcinputtable[i].par); if(!status) { (*mcinputtypes[mcinputtable[i].type].error)(mcinputtable[i].name, buf); if (!mcinputtable[i].val || strlen(mcinputtable[i].val)) { fprintf(stderr, " Change %s default value in instrument definition.\n", mcinputtable[i].name); exit(1); } } } while(!status); } } /* mcreadparams */ /******************************************************************************* * mcparseoptions: parse command line arguments (options, parameters) *******************************************************************************/ void mcparseoptions(int argc, char *argv[]) { int i, j; char *p; int paramset = 0, *paramsetarray; char *usedir=NULL; /* Add one to numipar to avoid allocating zero size memory block. */ paramsetarray = (int*)malloc((numipar + 1)*sizeof(*paramsetarray)); if(paramsetarray == NULL) { fprintf(stderr, "Error: insufficient memory (mcparseoptions)\n"); exit(1); } for(j = 0; j < numipar; j++) { paramsetarray[j] = 0; if (mcinputtable[j].val != NULL && strlen(mcinputtable[j].val)) { int status; char buf[CHAR_BUF_LENGTH]; strncpy(buf, mcinputtable[j].val, CHAR_BUF_LENGTH); status = (*mcinputtypes[mcinputtable[j].type].getparm) (buf, mcinputtable[j].par); if(!status) fprintf(stderr, "Invalid '%s' default value %s in instrument definition (mcparseoptions)\n", mcinputtable[j].name, buf); else paramsetarray[j] = 1; } else { (*mcinputtypes[mcinputtable[j].type].getparm) (NULL, mcinputtable[j].par); paramsetarray[j] = 0; } } for(i = 1; i < argc; i++) { if(!strcmp("-s", argv[i]) && (i + 1) < argc) mcsetseed(argv[++i]); else if(!strncmp("-s", argv[i], 2)) mcsetseed(&argv[i][2]); else if(!strcmp("--seed", argv[i]) && (i + 1) < argc) mcsetseed(argv[++i]); else if(!strncmp("--seed=", argv[i], 7)) mcsetseed(&argv[i][7]); else if(!strcmp("-n", argv[i]) && (i + 1) < argc) mcsetn_arg(argv[++i]); else if(!strncmp("-n", argv[i], 2)) mcsetn_arg(&argv[i][2]); else if(!strcmp("--ncount", argv[i]) && (i + 1) < argc) mcsetn_arg(argv[++i]); else if(!strncmp("--ncount=", argv[i], 9)) mcsetn_arg(&argv[i][9]); else if(!strcmp("-d", argv[i]) && (i + 1) < argc) usedir=argv[++i]; /* will create directory after parsing all arguments (end of this function) */ else if(!strncmp("-d", argv[i], 2)) usedir=&argv[i][2]; else if(!strcmp("--dir", argv[i]) && (i + 1) < argc) usedir=argv[++i]; else if(!strncmp("-a", argv[i], 2)) mcappend = 1; else if(!strcmp("--append", argv[i])) mcappend = 1; else if(!strncmp("--dir=", argv[i], 6)) usedir=&argv[i][6]; else if(!strcmp("-h", argv[i])) mcshowhelp(argv[0]); else if(!strcmp("--help", argv[i]) || !strcmp("--version", argv[i])) mcshowhelp(argv[0]); else if(!strcmp("-i", argv[i])) { mcformat=FLAVOR_UPPER; mcinfo(); } else if(!strcmp("--info", argv[i])) mcinfo(); else if (!strcmp("--list-parameters", argv[i])) mcparameterinfo(); else if (!strcmp("--meta-list", argv[i]) && ((i+1) >= argc || argv[i+1][0] == '-')){ //printf("Components with metadata defined:\n"); exit(metadata_table_print_all_components(num_metadata, metadata_table) == 0); } else if (!strcmp("--meta-defined", argv[i]) && (i+1) < argc){ exit(metadata_table_print_component_keys(num_metadata, metadata_table, argv[i+1]) == 0); } else if (!strcmp("--meta-type", argv[i]) && (i+1) < argc){ char * literal_type = metadata_table_type(num_metadata, metadata_table, argv[i+1]); if (literal_type == NULL) exit(1); printf("%s\n", literal_type); exit(0); } else if (!strcmp("--meta-data", argv[i]) && (i+1) < argc){ char * literal = metadata_table_literal(num_metadata, metadata_table, argv[i+1]); if (literal == NULL) exit(1); printf("%s\n", literal); exit(0); } else if(!strncmp("--trace=", argv[i], 8)) { mcenabletrace(atoi(&argv[i][8])); } else if(!strncmp("-t=", argv[i], 3) || !strcmp("--verbose", argv[i])) { mcenabletrace(atoi(&argv[i][3])); } else if(!strcmp("-t", argv[i])) mcenabletrace(1); else if(!strcmp("--trace", argv[i]) || !strcmp("--verbose", argv[i])) mcenabletrace(1); else if(!strcmp("--gravitation", argv[i])) mcgravitation = 1; else if(!strcmp("-g", argv[i])) mcgravitation = 1; else if(!strcmp("--yes", argv[i])) mcusedefaults = 1; else if(!strcmp("-y", argv[i])) mcusedefaults = 1; else if(!strncmp("--format=", argv[i], 9)) { mcformat=&argv[i][9]; } else if(!strcmp("--format", argv[i]) && (i + 1) < argc) { mcformat=argv[++i]; } #ifdef USE_NEXUS else if(!strcmp("--IDF", argv[i])) { mcnexus_embed_idf = 1; } #endif else if(!strncmp("--vecsize=", argv[i], 10)) { vecsize=atoi(&argv[i][10]); } else if(!strcmp("--vecsize", argv[i]) && (i + 1) < argc) { vecsize=atoi(argv[++i]); } else if(!strncmp("--bufsiz=", argv[i], 9)) { MONND_BUFSIZ=atoi(&argv[i][9]); } else if(!strcmp("--bufsiz", argv[i]) && (i + 1) < argc) { MONND_BUFSIZ=atoi(argv[++i]); } else if(!strncmp("--numgangs=", argv[i], 11)) { numgangs=atoi(&argv[i][11]); } else if(!strcmp("--numgangs", argv[i]) && (i + 1) < argc) { numgangs=atoi(argv[++i]); } else if(!strncmp("--gpu_innerloop=", argv[i], 16)) { gpu_innerloop=(long)strtod(&argv[i][16], NULL); } else if(!strcmp("--gpu_innerloop", argv[i]) && (i + 1) < argc) { gpu_innerloop=(long)strtod(argv[++i], NULL); } else if(!strcmp("--no-output-files", argv[i])) mcdisable_output_files = 1; else if(!strcmp("--source", argv[i])) { printf("/* Source code %s from %s: */\n" "/******************************************************************************/\n" "%s\n" "/******************************************************************************/\n" "/* End of source code %s from %s */\n", instrument_name, instrument_source, instrument_code, instrument_name, instrument_source); exit(1); } else if(argv[i][0] != '-' && (p = strchr(argv[i], '=')) != NULL) { *p++ = '\0'; for(j = 0; j < numipar; j++) if(!strcmp(mcinputtable[j].name, argv[i])) { int status; status = (*mcinputtypes[mcinputtable[j].type].getparm)(p, mcinputtable[j].par); if(!status || !strlen(p)) { (*mcinputtypes[mcinputtable[j].type].error) (mcinputtable[j].name, p); exit(1); } paramsetarray[j] = 1; paramset = 1; break; } if(j == numipar) { /* Unrecognized parameter name */ fprintf(stderr, "Error: unrecognized parameter %s (mcparseoptions)\n", argv[i]); exit(1); } } else if(argv[i][0] == '-') { fprintf(stderr, "Error: unrecognized option argument %s (mcparseoptions). Ignored.\n", argv[i++]); } else { fprintf(stderr, "Error: unrecognized argument %s (mcparseoptions). Aborting.\n", argv[i]); mcusage(argv[0]); } } if (mcusedefaults) { MPI_MASTER( printf("Using all default parameter values\n"); ); for(j = 0; j < numipar; j++) { int status; if(mcinputtable[j].val && strlen(mcinputtable[j].val)){ status = (*mcinputtypes[mcinputtable[j].type].getparm)(mcinputtable[j].val, mcinputtable[j].par); paramsetarray[j] = 1; paramset = 1; } } } if(!paramset) mcreadparams(); /* Prompt for parameters if not specified. */ else { for(j = 0; j < numipar; j++) if(!paramsetarray[j]) { fprintf(stderr, "Error: Instrument parameter %s left unset (mcparseoptions)\n", mcinputtable[j].name); exit(1); } } free(paramsetarray); #ifdef USE_MPI if (mcdotrace) mpi_node_count=1; /* disable threading when in trace mode */ #endif if (usedir && strlen(usedir) && !mcdisable_output_files) mcuse_dir(usedir); } /* mcparseoptions */ #ifndef NOSIGNALS /******************************************************************************* * sighandler: signal handler that makes simulation stop, and save results *******************************************************************************/ void sighandler(int sig) { /* MOD: E. Farhi, Sep 20th 2001: give more info */ time_t t1, t0; #define SIG_SAVE 0 #define SIG_TERM 1 #define SIG_STAT 2 #define SIG_ABRT 3 printf("\n# " MCCODE_STRING ": [pid %i] Signal %i detected", getpid(), sig); #ifdef USE_MPI printf(" [proc %i]", mpi_node_rank); #endif #if defined(SIGUSR1) && defined(SIGUSR2) && defined(SIGKILL) if (!strcmp(mcsig_message, "sighandler") && (sig != SIGUSR1) && (sig != SIGUSR2)) { printf("\n# Fatal : unrecoverable loop ! Suicide (naughty boy).\n"); kill(0, SIGKILL); /* kill myself if error occurs within sighandler: loops */ } #endif switch (sig) { #ifdef SIGINT case SIGINT : printf(" SIGINT (interrupt from terminal, Ctrl-C)"); sig = SIG_TERM; break; #endif #ifdef SIGILL case SIGILL : printf(" SIGILL (Illegal instruction)"); sig = SIG_ABRT; break; #endif #ifdef SIGFPE case SIGFPE : printf(" SIGFPE (Math Error)"); sig = SIG_ABRT; break; #endif #ifdef SIGSEGV case SIGSEGV : printf(" SIGSEGV (Mem Error)"); sig = SIG_ABRT; break; #endif #ifdef SIGTERM case SIGTERM : printf(" SIGTERM (Termination)"); sig = SIG_TERM; break; #endif #ifdef SIGABRT case SIGABRT : printf(" SIGABRT (Abort)"); sig = SIG_ABRT; break; #endif #ifdef SIGQUIT case SIGQUIT : printf(" SIGQUIT (Quit from terminal)"); sig = SIG_TERM; break; #endif #ifdef SIGTRAP case SIGTRAP : printf(" SIGTRAP (Trace trap)"); sig = SIG_ABRT; break; #endif #ifdef SIGPIPE case SIGPIPE : printf(" SIGPIPE (Broken pipe)"); sig = SIG_ABRT; break; #endif #ifdef SIGUSR1 case SIGUSR1 : printf(" SIGUSR1 (Display info)"); sig = SIG_STAT; break; #endif #ifdef SIGUSR2 case SIGUSR2 : printf(" SIGUSR2 (Save simulation)"); sig = SIG_SAVE; break; #endif #ifdef SIGHUP case SIGHUP : printf(" SIGHUP (Hangup/update)"); sig = SIG_SAVE; break; #endif #ifdef SIGBUS case SIGBUS : printf(" SIGBUS (Bus error)"); sig = SIG_ABRT; break; #endif #ifdef SIGURG case SIGURG : printf(" SIGURG (Urgent socket condition)"); sig = SIG_ABRT; break; #endif #ifdef SIGBREAK case SIGBREAK: printf(" SIGBREAK (Break signal, Ctrl-Break)"); sig = SIG_SAVE; break; #endif default : printf(" (look at signal list for signification)"); sig = SIG_ABRT; break; } printf("\n"); printf("# Simulation: %s (%s) \n", instrument_name, instrument_source); printf("# Breakpoint: %s ", mcsig_message); if (strstr(mcsig_message, "Save") && (sig == SIG_SAVE)) sig = SIG_STAT; SIG_MESSAGE("sighandler"); if (mcget_ncount() == 0) printf("(0 %%)\n" ); else { printf("%.2f %% (%10.1f/%10.1f)\n", 100.0*mcget_run_num()/mcget_ncount(), 1.0*mcget_run_num(), 1.0*mcget_ncount()); } t0 = (time_t)mcstartdate; t1 = time(NULL); printf("# Date: %s", ctime(&t1)); printf("# Started: %s", ctime(&t0)); if (sig == SIG_STAT) { printf("# " MCCODE_STRING ": Resuming simulation (continue)\n"); fflush(stdout); return; } else if (sig == SIG_SAVE) { printf("# " MCCODE_STRING ": Saving data and resume simulation (continue)\n"); save(NULL); fflush(stdout); return; } else if (sig == SIG_TERM) { printf("# " MCCODE_STRING ": Finishing simulation (save results and exit)\n"); finally(); exit(0); } else { fflush(stdout); perror("# Last I/O Error"); printf("# " MCCODE_STRING ": Simulation stop (abort).\n"); // This portion of the signal handling only works on UNIX #if defined(__unix__) || defined(__APPLE__) signal(sig, SIG_DFL); /* force to use default sighandler now */ kill(getpid(), sig); /* and trigger it with the current signal */ #endif exit(-1); } #undef SIG_SAVE #undef SIG_TERM #undef SIG_STAT #undef SIG_ABRT } /* sighandler */ #endif /* !NOSIGNALS */ #ifdef NEUTRONICS /*Main neutronics function steers the McStas calls, initializes parameters etc */ /* Only called in case NEUTRONICS = TRUE */ void neutronics_main_(float *inx, float *iny, float *inz, float *invx, float *invy, float *invz, float *intime, float *insx, float *insy, float *insz, float *inw, float *outx, float *outy, float *outz, float *outvx, float *outvy, float *outvz, float *outtime, float *outsx, float *outsy, float *outsz, float *outwgt) { extern double mcnx, mcny, mcnz, mcnvx, mcnvy, mcnvz; extern double mcnt, mcnsx, mcnsy, mcnsz, mcnp; /* External code governs iteration - McStas is iterated once per call to neutronics_main. I.e. below counter must be initiancated for each call to neutronics_main*/ mcrun_num=0; time_t t; t = (time_t)mcstartdate; mcstartdate = t; /* set start date before parsing options and creating sim file */ init(); /* *** parse options *** */ SIG_MESSAGE("[" __FILE__ "] main START"); mcformat=getenv(FLAVOR_UPPER "_FORMAT") ? getenv(FLAVOR_UPPER "_FORMAT") : FLAVOR_UPPER; /* Set neutron state based on input from neutronics code */ mcsetstate(*inx,*iny,*inz,*invx,*invy,*invz,*intime,*insx,*insy,*insz,*inw); /* main neutron event loop - runs only one iteration */ //mcstas_raytrace(&mcncount); /* prior to McStas 1.12 */ mcallowbackprop = 1; //avoid absorbtion from negative dt int argc=1; char *argv[0]; int dummy = mccode_main(argc, argv); *outx = mcnx; *outy = mcny; *outz = mcnz; *outvx = mcnvx; *outvy = mcnvy; *outvz = mcnvz; *outtime = mcnt; *outsx = mcnsx; *outsy = mcnsy; *outsz = mcnsz; *outwgt = mcnp; return; } /* neutronics_main */ #endif /*NEUTRONICS*/ #endif /* !MCCODE_H */ /* End of file "mccode-r.c". */ /* End of file "mccode-r.c". */ /* embedding file "mcxtrace-r.c" */ /******************************************************************************* * * McXtrace, X-ray tracing package * Copyright (C) 1997-2009, All rights reserved * DTU Physics , Kgs. Lyngby, Denmark * * Runtime: share/mcxtrace-r.c * * %Identification * Edited by: EK * Date: May 29, 2009 * Release: McXtrace X.Y * Version: $Revision$ * * Runtime system for McXtrace. * Embedded within instrument in runtime mode. * * Usage: Automatically embedded in the c code whenever required. * *******************************************************************************/ #ifndef MCXTRACE_R_H #include "mcxtrace-r.h" #endif /******************************************************************************* * The I/O format definitions and functions *******************************************************************************/ #ifndef MCXTRACE_H /******************************************************************************* * mcsetstate: transfer parameters into global McXtrace variables *******************************************************************************/ _class_particle mcsetstate(double x, double y, double z, double kx, double ky, double kz, double phi, double t, double Ex, double Ey, double Ez, double p, int mcgravitation, void *mcMagnet, int mcallowbackprop) { _class_particle mcphoton; mcphoton.x = x; mcphoton.y = y; mcphoton.z = z; mcphoton.kx = kx; mcphoton.ky = ky; mcphoton.kz = kz; mcphoton.phi = phi; mcphoton.t = t; mcphoton.Ex = Ex; mcphoton.Ey = Ey; mcphoton.Ez = Ez; mcphoton.p = p; /*mcphoton.mcgravitation = mcgravitation; mcphoton.mcMagnet = mcMagnet;*/ mcphoton.allow_backprop = mcallowbackprop; mcphoton._uid = 0; mcphoton._index = 1; mcphoton._absorbed = 0; mcphoton._restore = 0; mcphoton._scattered = 0; // init uservars via cogen'd-function particle_uservar_init(&mcphoton); return(mcphoton); } /* mcsetstate */ /******************************************************************************* * mcgetstate: get photon parameters from particle structure *******************************************************************************/ _class_particle mcgetstate(_class_particle mcphoton, double *x, double *y, double *z, double *kx, double *ky, double *kz, double *phi, double *t, double *Ex, double *Ey, double *Ez, double *p) { *x = mcphoton.x; *y = mcphoton.y; *z = mcphoton.z; *kx = mcphoton.kx; *ky = mcphoton.ky; *kz = mcphoton.kz; *phi = mcphoton.phi; *t = mcphoton.t; *Ex = mcphoton.Ex; *Ey = mcphoton.Ey; *Ez = mcphoton.Ez; *p = mcphoton.p; return(mcphoton); } /* mcgetstate */ /******************************************************************************* * mcgenstate: set default photon parameters *******************************************************************************/ /*moved to generated code*/ /*#pragma acc routine seq*/ /*_class_particle mcgenstate(void)*/ /*{*/ /* return(mcsetstate(0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, mcgravitation, mcMagnet, mcallowbackprop));*/ /*}*/ /******************************************************************************* * mccoordschanges: old style rotation routine rot -> (x y z) ,(vx vy vz),(sx,sy,sz) *******************************************************************************/ void mccoordschanges(Coords a, Rotation t, double *x, double *y, double *z, double *kx, double *ky, double *kz, double *Ex, double *Ey, double *Ez) { Coords b, c; b.x = *x; b.y = *y; b.z = *z; c = rot_apply(t, b); b = coords_add(c, a); *x = b.x; *y = b.y; *z = b.z; if ( (kz && ky && kx) && (*kz != 0.0 || *kx != 0.0 || *ky != 0.0) ) mccoordschange_polarisation(t, kx, ky, kz); if ( (Ez && Ey && Ex) && (*Ez != 0.0 || *Ex != 0.0 || *Ey != 0.0) ) mccoordschange_polarisation(t, Ex, Ey, Ez); } /* intersection routines ==================================================== */ /******************************************************************************* * inside_rectangle: Check if (x,y) is inside rectangle (xwidth, yheight) * return 0 if outside and 1 if inside *******************************************************************************/ int inside_rectangle(double x, double y, double xwidth, double yheight) { if (x>-xwidth/2 && x-yheight/2 && y -dy_2 && yf -dz_2 && zf -dy_2 && yf -dz_2 && zf -dx_2 && xf -dz_2 && zf -dx_2 && xf -dz_2 && zf -dx_2 && xf -dy_2 && yf -dx_2 && xf -dy_2 && yf=0){ if (kx || kz){ stat|=HIT_CYL; /*propagation not parallel to y-axis*/ /*hit infinitely high cylinder?*/ D=sqrt(D); dl0c=k*(-B-D)/(2*A); dl1c=k*(-B+D)/(2*A); y0=dl0c*ky/k+y; y1=dl1c*ky/k+y; if ( (y0<-h/2 && y1<-h/2) || (y0>h/2 && y1>h/2) ){ /*ray passes above or below cylinder*/ return 0; } } /*now check top and bottom planes*/ if (ky){ dl0p = k*(-h/2-y)/ky; dl1p = k*(h/2-y)/ky; /*switch solutions?*/ if (dl0pdl0c){ *l0=dl0p;/*1st top/bottom plane intersection happens after 1st cylinder intersect*/ stat|= plane_stat & ENTER_MASK; } else *l0=dl0c; if(ky && dl1p DBL_EPSILON && r < maxiter) { r++; dK = exp (-x * cosh (r * h)) * cosh (nu * r * h); KK += dK; } #ifndef OPENACC if (r >= maxiter) { fprintf (stderr, "Warning: Maximum number of iterations exceeded in besselKnu(%g,%g).\n", nu, x); } #endif KK *= h; return KK; } #endif /*MCCODE_BESSELKNU*/ #ifndef M_SQRT1_2 #define M_SQRT1_2 0.70710678118654752440 #endif /* Shared user declarations for all components types 'Mirror_toroid_pothole'. */ #include /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright 1997-2002, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Library: share/read_table-lib.h * * %Identification * Written by: EF * Date: Aug 28, 2002 * Origin: ILL * Release: McStas 1.6 * Version: $Revision$ * * This file is to be imported by components that may read data from table files * It handles some shared functions. * * This library may be used directly as an external library. It has no dependency * * Usage: within SHARE * %include "read_table-lib" * *******************************************************************************/ #ifndef READ_TABLE_LIB_H #define READ_TABLE_LIB_H "$Revision$" #define READ_TABLE_STEPTOL 0.04 /* tolerancy for constant step approx */ #ifndef MC_PATHSEP_C #ifdef WIN32 #define MC_PATHSEP_C '\\' #define MC_PATHSEP_S "\\" #else /* !WIN32 */ #ifdef MAC #define MC_PATHSEP_C ':' #define MC_PATHSEP_S ":" #else /* !MAC */ #define MC_PATHSEP_C '/' #define MC_PATHSEP_S "/" #endif /* !MAC */ #endif /* !WIN32 */ #endif /* !MC_PATHSEP_C */ #ifndef MCSTAS #ifdef WIN32 #define MCSTAS "C:\\mcstas\\lib" #else /* !WIN32 */ #ifdef MAC #define MCSTAS ":mcstas:lib" /* ToDo: What to put here? */ #else /* !MAC */ #define MCSTAS "/usr/local/lib/mcstas" #endif /* !MAC */ #endif /* !WIN32 */ #endif /* !MCSTAS */ #include #include #include #ifndef _MSC_EXTENSIONS #include #else # include # define strcasecmp _stricmp # define strncasecmp _strnicmp #endif typedef struct struct_table { char filename[1024]; long filesize; char *header; /* text header, e.g. comments */ double *data; /* vector { x[0], y[0], ... x[n-1], y[n-1]... } */ double min_x; /* min value of first column */ double max_x; /* max value of first column */ double step_x; /* minimal step value of first column */ long rows; /* number of rows in matrix block */ long columns; /* number of columns in matrix block */ long begin; /* start fseek index of block */ long end; /* stop fseek index of block */ long block_number; /* block index. 0 is catenation of all */ long array_length; /* number of elements in the t_Table array */ char monotonic; /* true when 1st column/vector data is monotonic */ char constantstep; /* true when 1st column/vector data has constant step */ char method[32]; /* interpolation method: nearest, linear */ char quiet; /*output level for messages to the console 0: print all messages, 1:only print some/including errors, 2: never print anything.*/ } t_Table; /*maximum number of rows to rebin a table = 1M*/ enum { mcread_table_rebin_maxsize = 1000000 }; typedef struct t_Read_table_file_item { int ref_count; t_Table *table_ref; } t_Read_table_file_item; typedef enum enum_Read_table_file_actions {STORE,FIND,GC} t_Read_table_file_actions; /* read_table-lib function prototypes */ /* ========================================================================= */ /* 'public' functions */ long Table_Read (t_Table *Table, char *File, long block_number); long Table_Read_Offset (t_Table *Table, char *File, long block_number, long *offset, long max_lines); long Table_Read_Offset_Binary(t_Table *Table, char *File, char *Type, long *Offset, long Rows, long Columns); long Table_Rebin(t_Table *Table); /* rebin table with regular 1st column and interpolate all columns 2:end */ long Table_Info (t_Table Table); #pragma acc routine double Table_Index(t_Table Table, long i, long j); /* get indexed value */ #pragma acc routine double Table_Value(t_Table Table, double X, long j); /* search X in 1st column and return interpolated value in j-column */ t_Table *Table_Read_Array(char *File, long *blocks); void Table_Free_Array(t_Table *Table); long Table_Info_Array(t_Table *Table); int Table_SetElement(t_Table *Table, long i, long j, double value); long Table_Init(t_Table *Table, long rows, long columns); /* create a Table */ #pragma acc routine double Table_Value2d(t_Table Table, double X, double Y); /* same as Table_Index with non-integer indices and 2d interpolation */ MCDETECTOR Table_Write(t_Table Table, char*file, char*xl, char*yl, double x1, double x2, double y1, double y2); /* write Table to disk */ void * Table_File_List_Handler(t_Read_table_file_actions action, void *item, void *item_modifier); t_Table *Table_File_List_find(char *name, int block, int offset); int Table_File_List_gc(t_Table *tab); void *Table_File_List_store(t_Table *tab); #define Table_ParseHeader(header, ...) \ Table_ParseHeader_backend(header,__VA_ARGS__,NULL); char **Table_ParseHeader_backend(char *header, ...); FILE *Open_File(char *name, const char *Mode, char *path); /* private functions */ void Table_Free(t_Table *Table); long Table_Read_Handle(t_Table *Table, FILE *fid, long block_number, long max_lines, char *name); static void Table_Stat(t_Table *Table); #pragma acc routine double Table_Interp1d(double x, double x1, double y1, double x2, double y2); #pragma acc routine double Table_Interp1d_nearest(double x, double x1, double y1, double x2, double y2); #pragma acc routine double Table_Interp2d(double x, double y, double x1, double y1, double x2, double y2, double z11, double z12, double z21, double z22); #endif /* end of read_table-lib.h */ /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright (C) 1997-2009, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Library: share/read_table-lib.c * * %Identification * Written by: EF * Date: Aug 28, 2002 * Origin: ILL * Release: McStas CVS_090504 * Version: $Revision$ * * This file is to be imported by components that may read data from table files * It handles some shared functions. Embedded within instrument in runtime mode. * * Usage: within SHARE * %include "read_table-lib" * *******************************************************************************/ #ifndef READ_TABLE_LIB_H #include "read_table-lib.h" #endif #ifndef READ_TABLE_LIB_C #define READ_TABLE_LIB_C "$Revision$" /******************************************************************************* * void *Table_File_List_Handler(action, item, item_modifier) * ACTION: handle file entries in the read_table-lib file list. If a file is read - it is supposed to be * stored in a list such that we can avoid reading the same file many times. * input action: FIND, STORE, GC. check if file exists in the list, store an item in the list, or check if it can be garbage collected. * input item: depends on the action. * FIND) item is a filename, and item_modifier is the block number * STORE) item is the Table to store - item_modifier is ignored * GC) item is the Table to check. If it has a ref_count >1 then this is simply decremented. * return depends on the action * FIND) return a reference to a table+ref_count item if found - NULL otherwise. I.e. NULL means the file has not been read before and must be read again. * STORE) return NULL always * GC) return NULL if no garbage collection is needed, return an adress to the t_Table which should be garbage collected. 0x1 is returned if * the item is not found in the list *******************************************************************************/ void * Table_File_List_Handler(t_Read_table_file_actions action, void *item, void *item_modifier){ /* logic here is Read_Table should include a call to FIND. If found the return value should just be used as * if the table had been read from disk. If not found then read the table and STORE. * Table_Free should include a call to GC. If this returns non-NULL then we should proceed with freeing the memory * associated with the table item - otherwise only decrement the reference counter since there are more references * that may need it.*/ static t_Read_table_file_item read_table_file_list[1024]; static int read_table_file_count=0; t_Read_table_file_item *tr; switch(action){ case FIND: /*interpret data item as a filename, if it is found return a pointer to the table and increment refcount. * if not found return the item itself*/ tr=read_table_file_list; while ( tr->table_ref!=NULL ){ int i=*((int*) item_modifier); int j=*( ((int*) item_modifier)+1); if ( !strcmp(tr->table_ref->filename,(char *) item) && tr->table_ref->block_number==i && tr->table_ref->begin==j ){ tr->ref_count++; return (void *) tr; } tr++; } return NULL; case STORE: /*find an available slot and store references to table there*/ tr=&(read_table_file_list[read_table_file_count++]); tr->table_ref = ((t_Table *) item); tr->ref_count++; return NULL; case GC: /* Should this item be garbage collected (freed) - if so scratch the entry and return the address of the item - * else decrement ref_count and return NULL. * A non-NULL return expects the item to actually be freed afterwards.*/ tr=read_table_file_list; while ( tr->table_ref!=NULL ){ if ( tr->table_ref->data ==((t_Table *)item)->data && tr->table_ref->block_number == ((t_Table *)item)->block_number){ /*matching item found*/ if (tr->ref_count>1){ /*the item is found and no garbage collection needed*/ tr->ref_count--; return NULL; }else{ /* The item is found and the reference counter is 1. * This means we should garbage collect. Move remaining list items up one slot, * and return the table for garbage collection by caller*/ while (tr->table_ref!=NULL){ *tr=*(tr+1); tr++; } read_table_file_count--; return (t_Table *) item; } } tr++; } /* item not found, and so should be garbage collected. This could be the case if freeing a * Table that has been constructed from code - not read from file. Return 0x1 to flag it for * collection.*/ return (void *) 0x1 ; } /* If we arrive here, nothing worked, return NULL */ return NULL; } /* Access functions to the handler*/ /******************************************** * t_Table *Table_File_List_find(char *name, int block, int offset) * input name: filename to search for in the file list * input block: data block in the file as each file may contain more than 1 data block. * return a ref. to a table if it is found (you may use this pointer and skip reading the file), NULL otherwise (i.e. go ahead and read the file) *********************************************/ t_Table *Table_File_List_find(char *name, int block, int offset){ int vars[2]={block,offset}; t_Read_table_file_item *item = Table_File_List_Handler(FIND,name, vars); if (item == NULL){ return NULL; }else{ return item->table_ref; } } /******************************************** * int Table_File_List_gc(t_Table *tab) * input tab: the table to check for references. * return 0: no garbage collection needed * 1: Table's data and header (at least) should be freed. *********************************************/ int Table_File_List_gc(t_Table *tab){ void *rval=Table_File_List_Handler(GC,tab,0); if (rval==NULL) return 0; else return 1; } /***************************************************************************** * void *Table_File_List_store(t_Table *tab) * input tab: pointer to table to store. * return None. *******************************************************************************/ void *Table_File_List_store(t_Table *tab){ return Table_File_List_Handler(STORE,tab,0); } /******************************************************************************* * FILE *Open_File(char *name, char *Mode, char *path) * ACTION: search for a file and open it. Optionally return the opened path. * input name: file name from which table should be extracted * mode: "r", "w", "a" or any valid fopen mode * path: NULL or a pointer to at least 1024 allocated chars * return initialized file handle or NULL in case of error *******************************************************************************/ FILE *Open_File(char *File, const char *Mode, char *Path) { char path[1024]; FILE *hfile = NULL; if (!File || File[0]=='\0') return(NULL); if (!strcmp(File,"NULL") || !strcmp(File,"0")) return(NULL); /* search in current or full path */ strncpy(path, File, 1024); hfile = fopen(path, Mode); if(!hfile) { char dir[1024]; if (!hfile && instrument_source[0] != '\0' && strlen(instrument_source)) /* search in instrument source location */ { char *path_pos = NULL; /* extract path: searches for last file separator */ path_pos = strrchr(instrument_source, MC_PATHSEP_C); /* last PATHSEP */ if (path_pos) { long path_length = path_pos +1 - instrument_source; /* from start to path+sep */ if (path_length) { strncpy(dir, instrument_source, path_length); dir[path_length] = '\0'; snprintf(path, 1024, "%s%c%s", dir, MC_PATHSEP_C, File); hfile = fopen(path, Mode); } } } if (!hfile && instrument_exe[0] != '\0' && strlen(instrument_exe)) /* search in PWD instrument executable location */ { char *path_pos = NULL; /* extract path: searches for last file separator */ path_pos = strrchr(instrument_exe, MC_PATHSEP_C); /* last PATHSEP */ if (path_pos) { long path_length = path_pos +1 - instrument_exe; /* from start to path+sep */ if (path_length) { strncpy(dir, instrument_exe, path_length); dir[path_length] = '\0'; snprintf(path, 1024, "%s%c%s", dir, MC_PATHSEP_C, File); hfile = fopen(path, Mode); } } } if (!hfile) /* search in HOME or . */ { strcpy(dir, getenv("HOME") ? getenv("HOME") : "."); snprintf(path, 1024, "%s%c%s", dir, MC_PATHSEP_C, File); hfile = fopen(path, Mode); } if (!hfile) /* search in MCSTAS/data */ { strcpy(dir, getenv(FLAVOR_UPPER) ? getenv(FLAVOR_UPPER) : MCSTAS); snprintf(path, 1024, "%s%c%s%c%s", dir, MC_PATHSEP_C, "data", MC_PATHSEP_C, File); hfile = fopen(path, Mode); } if (!hfile) /* search in MVCSTAS/contrib */ { strcpy(dir, getenv(FLAVOR_UPPER) ? getenv(FLAVOR_UPPER) : MCSTAS); snprintf(path, 1024, "%s%c%s%c%s", dir, MC_PATHSEP_C, "contrib", MC_PATHSEP_C, File); hfile = fopen(path, Mode); } if(!hfile) { // fprintf(stderr, "Warning: Could not open input file '%s' (Open_File)\n", File); return (NULL); } } if (Path) strncpy(Path, path, 1024); return(hfile); } /* end Open_File */ /******************************************************************************* * long Read_Table(t_Table *Table, char *name, int block_number) * ACTION: read a single Table from a text file * input Table: pointer to a t_Table structure * name: file name from which table should be extracted * block_number: if the file does contain more than one * data block, then indicates which one to get (from index 1) * a 0 value means append/catenate all * return initialized single Table t_Table structure containing data, header, ... * number of read elements (-1: error, 0:header only) * The routine stores any line starting with '#', '%' and ';' into the header * File is opened, read and closed * Other lines are interpreted as numerical data, and stored. * Data block should be a rectangular matrix or vector. * Data block may be rebinned with Table_Rebin (also sort in ascending order) *******************************************************************************/ long Table_Read(t_Table *Table, char *File, long block_number) { /* reads all or a single data block from 'file' and returns a Table structure */ return(Table_Read_Offset(Table, File, block_number, NULL, 0)); } /* end Table_Read */ /******************************************************************************* * long Table_Read_Offset(t_Table *Table, char *name, int block_number, long *offset * long max_rows) * ACTION: read a single Table from a text file, starting at offset * Same as Table_Read(..) except: * input offset: pointer to an offset (*offset should be 0 at start) * max_rows: max number of data rows to read from file (0 means all) * return initialized single Table t_Table structure containing data, header, ... * number of read elements (-1: error, 0:header only) * updated *offset position (where end of reading occured) *******************************************************************************/ long Table_Read_Offset(t_Table *Table, char *File, long block_number, long *offset, long max_rows) { /* reads all/a data block in 'file' and returns a Table structure */ FILE *hfile; long nelements=0; long begin=0; long filesize=0; char name[1024]; char path[1024]; struct stat stfile; /*Need to be able to store the pointer*/ if (!Table) return(-1); /*TK: Valgrind flags it as usage of uninitialised variable: */ Table->quiet = 0; //if (offset && *offset) snprintf(name, 1024, "%s@%li", File, *offset); //else strncpy(name, File, 1024); if(offset && *offset){ begin=*offset; } /* Check if the table has already been read from file. * If so just reuse the table, if not (this is flagged by returning NULL * set up a new table and read the data into it */ t_Table *tab_p= Table_File_List_find(name,block_number,begin); if ( tab_p!=NULL ){ /*table was found in the Table_File_List*/ *Table=*tab_p; MPI_MASTER( if(Table->quiet<1) printf("Reusing input file '%s' (Table_Read_Offset)\n", name); ); return Table->rows*Table->columns; } /* open the file */ hfile = Open_File(File, "r", path); if (!hfile) return(-1); else { MPI_MASTER( if(Table->quiet<1) printf("Opening input file '%s' (Table_Read_Offset)\n", path); ); } /* read file state */ stat(path,&stfile); filesize = stfile.st_size; if (offset && *offset) fseek(hfile, *offset, SEEK_SET); begin = ftell(hfile); Table_Init(Table, 0, 0); /* read file content and set the Table */ nelements = Table_Read_Handle(Table, hfile, block_number, max_rows, name); Table->begin = begin; Table->end = ftell(hfile); Table->filesize = (filesize>0 ? filesize : 0); Table_Stat(Table); Table_File_List_store(Table); if (offset) *offset=Table->end; fclose(hfile); return(nelements); } /* end Table_Read_Offset */ /******************************************************************************* * long Table_Read_Offset_Binary(t_Table *Table, char *File, char *type, * long *offset, long rows, long columns) * ACTION: read a single Table from a binary file, starting at offset * Same as Table_Read_Offset(..) except that it handles binary files. * input type: may be "float"/NULL or "double" * offset: pointer to an offset (*offset should be 0 at start) * rows : number of rows (0 means read all) * columns: number of columns * return initialized single Table t_Table structure containing data, header, ... * number of read elements (-1: error, 0:header only) * updated *offset position (where end of reading occured) *******************************************************************************/ long Table_Read_Offset_Binary(t_Table *Table, char *File, char *type, long *offset, long rows, long columns) { /* reads all/a data block in binary 'file' and returns a Table structure */ long nelements, sizeofelement; long filesize; FILE *hfile; char path[1024]; struct stat stfile; double *data = NULL; double *datatmp = NULL; long i; long begin; if (!Table) return(-1); Table_Init(Table, 0, 0); /* open the file */ hfile = Open_File(File, "r", path); if (!hfile) return(-1); else { MPI_MASTER( if(Table->quiet<1) printf("Opening input file '%s' (Table_Read, Binary)\n", path); ); } /* read file state */ stat(File,&stfile); filesize = stfile.st_size; Table->filesize=filesize; /* read file content */ if (type && !strcmp(type,"double")) sizeofelement = sizeof(double); else sizeofelement = sizeof(float); if (offset && *offset) fseek(hfile, *offset, SEEK_SET); begin = ftell(hfile); if (rows && filesize > sizeofelement*columns*rows) nelements = columns*rows; else nelements = (long)(filesize/sizeofelement); if (!nelements || filesize <= *offset) return(0); data = (double*)malloc(nelements*sizeofelement); if (!data) { if(!(Table->quiet>1)) fprintf(stderr,"Error: allocating %ld elements for %s file '%s'. Too big (Table_Read_Offset_Binary).\n", nelements, type, File); exit(-1); } nelements = fread(data, sizeofelement, nelements, hfile); if (!data || !nelements) { if(!(Table->quiet>1)) fprintf(stderr,"Error: reading %ld elements from %s file '%s' (Table_Read_Offset_Binary)\n", nelements, type, File); exit(-1); } Table->begin = begin; Table->end = ftell(hfile); if (offset) *offset=Table->end; fclose(hfile); datatmp = (double*)realloc(data, (double)nelements*sizeofelement); if (!datatmp) { free(data); fprintf(stderr,"Error: reallocating %ld elements for %s file '%s'. Too big (Table_Read_Offset_Binary).\n", nelements, type, File); exit(-1); } else { data = datatmp; } /* copy file data into Table */ if (type && !strcmp(type,"double")) Table->data = data; else { float *s; double *dataf; s = (float*)data; dataf = (double*)malloc(sizeof(double)*nelements); if (!dataf) { fprintf(stderr, "Could not allocate data block of size %ld\n", nelements); exit(-1); } for (i=0; idata = dataf; } strncpy(Table->filename, File, 1024); Table->rows = nelements/columns; Table->columns = columns; Table->array_length = 1; Table->block_number = 1; Table_Stat(Table); return(nelements); } /* end Table_Read_Offset_Binary */ /******************************************************************************* * long Table_Read_Handle(t_Table *Table, FILE *fid, int block_number, long max_rows, char *name) * ACTION: read a single Table from a text file handle (private) * input Table:pointer to a t_Table structure * fid: pointer to FILE handle * block_number: if the file does contain more than one * data block, then indicates which one to get (from index 1) * a 0 value means append/catenate all * max_rows: if non 0, only reads that number of lines * return initialized single Table t_Table structure containing data, header, ... * modified Table t_Table structure containing data, header, ... * number of read elements (-1: error, 0:header only) * The routine stores any line starting with '#', '%' and ';' into the header * Other lines are interpreted as numerical data, and stored. * Data block should be a rectangular matrix or vector. * Data block may be rebined with Table_Rebin (also sort in ascending order) *******************************************************************************/ long Table_Read_Handle(t_Table *Table, FILE *hfile, long block_number, long max_rows, char *name) { /* reads all/a data block from 'file' handle and returns a Table structure */ double *Data = NULL; double *Datatmp = NULL; char *Header = NULL; char *Headertmp = NULL; long malloc_size = CHAR_BUF_LENGTH; long malloc_size_h = 4096; long Rows = 0, Columns = 0; long count_in_array = 0; long count_in_header = 0; long count_invalid = 0; long block_Current_index = 0; char flag_End_row_loop = 0; if (!Table) return(-1); Table_Init(Table, 0, 0); if (name && name[0]!='\0') strncpy(Table->filename, name, 1024); if(!hfile) { fprintf(stderr, "Error: File handle is NULL (Table_Read_Handle).\n"); return (-1); } Header = (char*) calloc(malloc_size_h, sizeof(char)); Data = (double*)calloc(malloc_size, sizeof(double)); if ((Header == NULL) || (Data == NULL)) { fprintf(stderr, "Error: Could not allocate Table and Header (Table_Read_Handle).\n"); return (-1); } int flag_In_array = 0; do { /* while (!flag_End_row_loop) */ char *line=malloc(1024*CHAR_BUF_LENGTH*sizeof(char)); long back_pos=0; /* ftell start of line */ if (!line) { fprintf(stderr,"Could not allocate line buffer\n"); exit(-1); } back_pos = ftell(hfile); if (fgets(line, 1024*CHAR_BUF_LENGTH, hfile) != NULL) { /* analyse line */ /* first skip blank and tabulation characters */ int i = strspn(line, " \t"); /* handle comments: stored in header */ if (NULL != strchr("#%;/", line[i])) { /* line is a comment */ count_in_header += strlen(line); if (count_in_header >= malloc_size_h) { /* if succeed and in array : add (and realloc if necessary) */ malloc_size_h = count_in_header+4096; char *Headertmp = (char*)realloc(Header, malloc_size_h*sizeof(char)); if(!Headertmp) { free(Header); fprintf(stderr, "Error: Could not reallocate Header (Table_Read_Handle).\n"); free(Header); return (-1); } else { Header = Headertmp; } } strncat(Header, line, 4096); flag_In_array=0; /* exit line and file if passed desired block */ if (block_number > 0 && block_number == block_Current_index) { flag_End_row_loop = 1; } /* Continue with next line */ continue; } if (strstr(line, "***")) { count_invalid++; /* Continue with next line */ continue; } /* get the number of columns splitting line with strtok */ char *lexeme; char flag_End_Line = 0; long block_Num_Columns = 0; const char seps[] = " ,;\t\n\r"; lexeme = strtok(line, seps); while (!flag_End_Line) { if ((lexeme != NULL) && (lexeme[0] != '\0')) { /* reading line: the token is not empty */ double X; int count=1; /* test if we have 'NaN','Inf' */ if (!strncasecmp(lexeme,"NaN",3)) X = 0; else if (!strncasecmp(lexeme,"Inf",3) || !strncasecmp(lexeme,"+Inf",4)) X = FLT_MAX; else if (!strncasecmp(lexeme,"-Inf",4)) X = -FLT_MAX; else count = sscanf(lexeme,"%lg",&X); if (count == 1) { /* reading line: the token is a number in the line */ if (!flag_In_array) { /* reading num: not already in a block: starts a new data block */ block_Current_index++; flag_In_array = 1; block_Num_Columns= 0; if (block_number > 0) { /* initialise a new data block */ Rows = 0; count_in_array = 0; } /* else append */ } /* reading num: all blocks or selected block */ if (flag_In_array && (block_number == 0 || block_number == block_Current_index)) { /* starting block: already the desired number of rows ? */ if (block_Num_Columns == 0 && max_rows > 0 && Rows >= max_rows) { flag_End_Line = 1; flag_End_row_loop = 1; flag_In_array = 0; /* reposition to begining of line (ignore line) */ fseek(hfile, back_pos, SEEK_SET); } else { /* store into data array */ if (count_in_array >= malloc_size) { /* realloc data buffer if necessary */ malloc_size = count_in_array*1.5; Datatmp = (double*) realloc(Data, malloc_size*sizeof(double)); if (Datatmp == NULL) { fprintf(stderr, "Error: Can not re-allocate memory %zi (Table_Read_Handle).\n", malloc_size*sizeof(double)); free(Data); return (-1); } else { Data=Datatmp; } } if (0 == block_Num_Columns) Rows++; Data[count_in_array] = X; count_in_array++; block_Num_Columns++; } } /* reading num: end if flag_In_array */ } /* end reading num: end if sscanf lexeme -> numerical */ else { /* reading line: the token is not numerical in that line. end block */ if (block_Current_index == block_number) { flag_End_Line = 1; flag_End_row_loop = 1; } else { flag_In_array = 0; flag_End_Line = 1; } } } else { /* no more tokens in line */ flag_End_Line = 1; if (block_Num_Columns > 0) Columns = block_Num_Columns; } // parse next token lexeme = strtok(NULL, seps); } /* while (!flag_End_Line) */ } /* end: if fgets */ else flag_End_row_loop = 1; /* else fgets : end of file */ free(line); } while (!flag_End_row_loop); /* end while flag_End_row_loop */ Table->block_number = block_number; Table->array_length = 1; // shrink header to actual size (plus terminating 0-byte) if (count_in_header) { Headertmp = (char*)realloc(Header, count_in_header*sizeof(char) + 1); if(!Headertmp) { fprintf(stderr, "Error: Could not shrink Header (Table_Read_Handle).\n"); free(Header); return (-1); } else { Header = Headertmp; } } Table->header = Header; if (count_in_array*Rows*Columns == 0) { Table->rows = 0; Table->columns = 0; free(Data); return (0); } if (Rows * Columns != count_in_array) { fprintf(stderr, "Warning: Read_Table :%s %s Data has %li values that should be %li x %li\n", (Table->filename[0] != '\0' ? Table->filename : ""), (!block_number ? " catenated" : ""), count_in_array, Rows, Columns); Columns = count_in_array; Rows = 1; } if (count_invalid) { fprintf(stderr,"Warning: Read_Table :%s %s Data has %li invalid lines (*****). Ignored.\n", (Table->filename[0] != '\0' ? Table->filename : ""), (!block_number ? " catenated" : ""), count_invalid); } Datatmp = (double*)realloc(Data, count_in_array*sizeof(double)); if(!Datatmp) { fprintf(stderr, "Error: Could reallocate Data block to %li doubles (Table_Read_Handle).\n", count_in_array); free(Data); return (-1); } else { Data = Datatmp; } Table->data = Data; Table->rows = Rows; Table->columns = Columns; return (count_in_array); } /* end Table_Read_Handle */ /******************************************************************************* * long Table_Rebin(t_Table *Table) * ACTION: rebin a single Table, sorting 1st column in ascending order * input Table: single table containing data. * The data block is reallocated in this process * return updated Table with increasing, evenly spaced first column (index 0) * number of data elements (-1: error, 0:empty data) *******************************************************************************/ long Table_Rebin(t_Table *Table) { double new_step=0; long i; /* performs linear interpolation on X axis (0-th column) */ if (!Table) return(-1); if (!Table->data || Table->rows*Table->columns == 0 || !Table->step_x) return(0); Table_Stat(Table); /* recompute statitstics and minimal step */ new_step = Table->step_x; /* minimal step in 1st column */ if (!(Table->constantstep)) /* not already evenly spaced */ { long Length_Table; double *New_Table; Length_Table = ceil(fabs(Table->max_x - Table->min_x)/new_step)+1; /*return early if the rebinned table will become too large*/ if (Length_Table > mcread_table_rebin_maxsize){ fprintf(stderr,"WARNING: (Table_Rebin): Rebinning table from %s would exceed 1M rows. Skipping.\n", Table->filename); return(Table->rows*Table->columns); } New_Table = (double*)malloc(Length_Table*Table->columns*sizeof(double)); if (!New_Table) { fprintf(stderr,"Could not allocate New_Table of size %ld x %ld\n", Length_Table, Table->columns); exit(-1); } for (i=0; i < Length_Table; i++) { long j; double X; X = Table->min_x + i*new_step; New_Table[i*Table->columns] = X; for (j=1; j < Table->columns; j++) New_Table[i*Table->columns+j] = Table_Value(*Table, X, j); } /* end for i */ Table->rows = Length_Table; Table->step_x = new_step; Table->max_x = Table->min_x + (Length_Table-1)*new_step; /*max might not be the same anymore * Use Length_Table -1 since the first and laset rows are the limits of the defined interval.*/ free(Table->data); Table->data = New_Table; Table->constantstep=1; } /* end else (!constantstep) */ return (Table->rows*Table->columns); } /* end Table_Rebin */ /******************************************************************************* * double Table_Index(t_Table Table, long i, long j) * ACTION: read an element [i,j] of a single Table * input Table: table containing data * i : index of row (0:Rows-1) * j : index of column (0:Columns-1) * return Value = data[i][j] * Returns Value from the i-th row, j-th column of Table * Tests are performed on indexes i,j to avoid errors *******************************************************************************/ #ifndef MIN #define MIN(a, b) (((a) < (b)) ? (a) : (b)) #endif #ifndef MAX #define MAX(a, b) (((a) > (b)) ? (a) : (b)) #endif double Table_Index(t_Table Table, long i, long j) { long AbsIndex; if (Table.rows == 1 || Table.columns == 1) { /* vector */ j = MIN(MAX(0, i+j), Table.columns*Table.rows - 1); i = 0; } else { /* matrix */ i = MIN(MAX(0, i), Table.rows - 1); j = MIN(MAX(0, j), Table.columns - 1); } /* handle vectors specifically */ AbsIndex = i*(Table.columns)+j; if (Table.data != NULL) return (Table.data[AbsIndex]); else return 0; } /* end Table_Index */ /******************************************************************************* * void Table_SetElement(t_Table *Table, long i, long j, double value) * ACTION: set an element [i,j] of a single Table * input Table: table containing data * i : index of row (0:Rows-1) * j : index of column (0:Columns-1) * value = data[i][j] * Returns 0 in case of error * Tests are performed on indexes i,j to avoid errors *******************************************************************************/ int Table_SetElement(t_Table *Table, long i, long j, double value) { long AbsIndex; if (Table->rows == 1 || Table->columns == 1) { /* vector */ j = MIN(MAX(0, i+j), Table->columns*Table->rows - 1); i=0; } else { /* matrix */ i = MIN(MAX(0, i), Table->rows - 1); j = MIN(MAX(0, j), Table->columns - 1); } AbsIndex = i*(Table->columns)+j; if (Table->data != NULL) { Table->data[AbsIndex] = value; return 1; } return 0; } /* end Table_SetElement */ /******************************************************************************* * double Table_Value(t_Table Table, double X, long j) * ACTION: read column [j] of a single Table at row which 1st column is X * input Table: table containing data. * X : data value in the first column (index 0) * j : index of column from which is extracted the Value (0:Columns-1) * return Value = data[index for X][j] with linear interpolation * Returns Value from the j-th column of Table corresponding to the * X value for the 1st column (index 0) * Tests are performed (within Table_Index) on indexes i,j to avoid errors * NOTE: data should rather be monotonic, and evenly sampled. *******************************************************************************/ double Table_Value(t_Table Table, double X, long j) { long Index = -1; double X1=0, Y1=0, X2=0, Y2=0; double ret=0; if (X > Table.max_x) return Table_Index(Table,Table.rows-1 ,j); if (X < Table.min_x) return Table_Index(Table,0 ,j); // Use constant-time lookup when possible if(Table.constantstep) { Index = (long)floor( (X - Table.min_x) / (Table.max_x - Table.min_x) * (Table.rows-1)); X1 = Table_Index(Table,Index-1,0); X2 = Table_Index(Table,Index ,0); } // Use binary search on large, monotonic tables else if(Table.monotonic && Table.rows > 100) { long left = Table.min_x; long right = Table.max_x; while (!((X1 <= X) && (X < X2)) && (right - left > 1)) { Index = (left + right) / 2; X1 = Table_Index(Table, Index-1, 0); X2 = Table_Index(Table, Index, 0); if (X < X1) { right = Index; } else { left = Index; } } } // Fall back to linear search, if no-one else has set X1, X2 correctly if (!((X1 <= X) && (X < X2))) { /* look for index surrounding X in the table -> Index */ for (Index=1; Index <= Table.rows-1; Index++) { X1 = Table_Index(Table, Index-1,0); X2 = Table_Index(Table, Index ,0); if ((X1 <= X) && (X < X2)) break; } /* end for Index */ } Y1 = Table_Index(Table,Index-1, j); Y2 = Table_Index(Table,Index , j); #ifdef OPENACC #define strcmp(a,b) str_comp(a,b) #endif if (!strcmp(Table.method,"linear")) { ret = Table_Interp1d(X, X1,Y1, X2,Y2); } else if (!strcmp(Table.method,"nearest")) { ret = Table_Interp1d_nearest(X, X1,Y1, X2,Y2); } #ifdef OPENACC #ifdef strcmp #undef strcmp #endif #endif return ret; } /* end Table_Value */ /******************************************************************************* * double Table_Value2d(t_Table Table, double X, double Y) * ACTION: read element [X,Y] of a matrix Table * input Table: table containing data. * X : row index, may be non integer * Y : column index, may be non integer * return Value = data[index X][index Y] with bi-linear interpolation * Returns Value for the indices [X,Y] * Tests are performed (within Table_Index) on indexes i,j to avoid errors * NOTE: data should rather be monotonic, and evenly sampled. *******************************************************************************/ double Table_Value2d(t_Table Table, double X, double Y) { long x1,x2,y1,y2; double z11,z12,z21,z22; double ret=0; x1 = (long)floor(X); y1 = (long)floor(Y); if (x1 > Table.rows-1 || x1 < 0) { x2 = x1; } else { x2 = x1 + 1; } if (y1 > Table.columns-1 || y1 < 0) { y2 = y1; } else { y2 = y1 + 1; } z11 = Table_Index(Table, x1, y1); if (y2 != y1) z12=Table_Index(Table, x1, y2); else z12 = z11; if (x2 != x1) z21=Table_Index(Table, x2, y1); else z21 = z11; if (y2 != y1) z22=Table_Index(Table, x2, y2); else z22 = z21; #ifdef OPENACC #define strcmp(a,b) str_comp(a,b) #endif if (!strcmp(Table.method,"linear")) ret = Table_Interp2d(X,Y, x1,y1,x2,y2, z11,z12,z21,z22); #ifdef OPENACC #ifdef strcmp #undef strcmp #endif #endif else { if (fabs(X-x1) < fabs(X-x2)) { if (fabs(Y-y1) < fabs(Y-y2)) ret = z11; else ret = z12; } else { if (fabs(Y-y1) < fabs(Y-y2)) ret = z21; else ret = z22; } } return ret; } /* end Table_Value2d */ /******************************************************************************* * void Table_Free(t_Table *Table) * ACTION: free a single Table. First Call Table_File_list_gc. If this returns * non-zero it means there are more refernces to the table, and so the table * should not bee freed. * return: empty Table *******************************************************************************/ void Table_Free(t_Table *Table) { if( !Table_File_List_gc(Table) ){ return; } if (!Table) return; if (Table->data != NULL) free(Table->data); if (Table->header != NULL) free(Table->header); Table->data = NULL; Table->header = NULL; } /* end Table_Free */ /****************************************************************************** * void Table_Info(t_Table Table) * ACTION: print informations about a single Table *******************************************************************************/ long Table_Info(t_Table Table) { char buffer[256]; long ret=0; if (!Table.block_number) strcpy(buffer, "catenated"); else sprintf(buffer, "block %li", Table.block_number); printf("Table from file '%s' (%s)", Table.filename[0] != '\0' ? Table.filename : "", buffer); if ((Table.data != NULL) && (Table.rows*Table.columns)) { printf(" is %li x %li ", Table.rows, Table.columns); if (Table.rows*Table.columns > 1) printf("(x=%g:%g)", Table.min_x, Table.max_x); else printf("(x=%g) ", Table.min_x); ret = Table.rows*Table.columns; if (Table.monotonic) printf(", monotonic"); if (Table.constantstep) printf(", constant step"); printf(". interpolation: %s\n", Table.method); } else printf(" is empty.\n"); if (Table.header && strlen(Table.header)) { char *header; int i; header = malloc(80); if (!header) return(ret); for (i=0; i<80; header[i++]=0); strncpy(header, Table.header, 75); if (strlen(Table.header) > 75) { strcat( header, " ..."); } for (i=0; iheader = NULL; Table->filename[0]= '\0'; Table->filesize= 0; Table->min_x = 0; Table->max_x = 0; Table->step_x = 0; Table->block_number = 0; Table->array_length = 0; Table->monotonic = 0; Table->constantstep = 0; Table->begin = 0; Table->end = 0; strcpy(Table->method,"linear"); if (rows*columns >= 1) { data = (double*)malloc(rows*columns*sizeof(double)); if (data) for (i=0; i < rows*columns; data[i++]=0); else { if(Table->quiet<2) fprintf(stderr,"Error: allocating %ld double elements." "Too big (Table_Init).\n", rows*columns); rows = columns = 0; } } Table->rows = (rows >= 1 ? rows : 0); Table->columns = (columns >= 1 ? columns : 0); Table->data = data; return(Table->rows*Table->columns); } /* end Table_Init */ /****************************************************************************** * long Table_Write(t_Table Table, char *file, x1,x2, y1,y2) * ACTION: write a Table to disk (ascii). * when x1=x2=0 or y1=y2=0, the table default limits are used. * return: 0=all is fine, non-0: error *******************************************************************************/ MCDETECTOR Table_Write(t_Table Table, char *file, char *xl, char *yl, double x1, double x2, double y1, double y2) { MCDETECTOR detector; if ((Table.data == NULL) && (Table.rows*Table.columns)) { detector.m = 0; detector.xmin = 0; detector.xmax = 0; detector.ymin = 0; detector.ymax = 0; detector.zmin = 0; detector.zmax = 0; detector.intensity = 0; detector.error = 0; detector.events = 0; detector.min = 0; detector.max = 0; detector.mean = 0; detector.centerX = 0; detector.halfwidthX = 0; detector.centerY = 0; detector.halfwidthY = 0; detector.rank = 0; detector.istransposed = 0; detector.n = 0; detector.p = 0; detector.date_l = 0; detector.p0 = NULL; detector.p1 = NULL; detector.p2 = NULL; return(detector); /* Table is empty - nothing to do */ } if (!x1 && !x2) { x1 = Table.min_x; x2 = Table.max_x; } if (!y1 && !y2) { y1 = 1; y2 = Table.columns; } /* transfer content of the Table into a 2D detector */ Coords coords = { 0, 0, 0}; Rotation rot; rot_set_rotation(rot, 0, 0, 0); if (Table.rows == 1 || Table.columns == 1) { detector = mcdetector_out_1D(Table.filename, xl ? xl : "", yl ? yl : "", "x", x1, x2, Table.rows * Table.columns, NULL, Table.data, NULL, file, file, coords, rot,9999); } else { detector = mcdetector_out_2D(Table.filename, xl ? xl : "", yl ? yl : "", x1, x2, y1, y2, Table.rows, Table.columns, NULL, Table.data, NULL, file, file, coords, rot,9999); } return(detector); } /****************************************************************************** * void Table_Stat(t_Table *Table) * ACTION: computes min/max/mean step of 1st column for a single table (private) * return: updated Table *******************************************************************************/ static void Table_Stat(t_Table *Table) { long i; double max_x, min_x; double row=1; char monotonic=1; char constantstep=1; double step=0; long n; if (!Table) return; if (!Table->rows || !Table->columns) return; if (Table->rows == 1) row=0; // single row max_x = -FLT_MAX; min_x = FLT_MAX; n = (row ? Table->rows : Table->columns); /* get min and max of first column/vector */ for (i=0; i < n; i++) { double X; X = (row ? Table_Index(*Table,i ,0) : Table_Index(*Table,0, i)); if (X < min_x) min_x = X; if (X > max_x) max_x = X; } /* for */ /* test for monotonicity and constant step if the table is an XY or single vector */ if (n > 1) { /* mean step */ step = (max_x - min_x)/(n-1); /* now test if table is monotonic on first column, and get minimal step size */ for (i=0; i < n-1; i++) { double X, diff;; X = (row ? Table_Index(*Table,i ,0) : Table_Index(*Table,0, i)); diff = (row ? Table_Index(*Table,i+1,0) : Table_Index(*Table,0, i+1)) - X; if (diff && fabs(diff) < fabs(step)) step = diff; /* change sign ? */ if ((max_x - min_x)*diff < 0 && monotonic) monotonic = 0; } /* end for */ /* now test if steps are constant within READ_TABLE_STEPTOL */ if(!step){ /*means there's a disconitnuity -> not constantstep*/ constantstep=0; }else if (monotonic) { for (i=0; i < n-1; i++) { double X, diff; X = (row ? Table_Index(*Table,i ,0) : Table_Index(*Table,0, i)); diff = (row ? Table_Index(*Table,i+1,0) : Table_Index(*Table,0, i+1)) - X; if ( fabs(step)*(1+READ_TABLE_STEPTOL) < fabs(diff) || fabs(diff) < fabs(step)*(1-READ_TABLE_STEPTOL) ) { constantstep = 0; break; } } } } Table->step_x= step; Table->max_x = max_x; Table->min_x = min_x; Table->monotonic = monotonic; Table->constantstep = constantstep; } /* end Table_Stat */ /****************************************************************************** * t_Table *Table_Read_Array(char *File, long *blocks) * ACTION: read as many data blocks as available, iteratively from file * return: initialized t_Table array, last element is an empty Table. * the number of extracted blocks in non NULL pointer *blocks *******************************************************************************/ t_Table *Table_Read_Array(char *File, long *blocks) { t_Table *Table_Array = NULL; t_Table *Table_Arraytmp = NULL; long offset=0; long block_number=0; long allocated=256; long nelements=1; /* first allocate an initial empty t_Table array */ Table_Array = (t_Table *)malloc(allocated*sizeof(t_Table)); if (!Table_Array) { fprintf(stderr, "Error: Can not allocate memory %zi (Table_Read_Array).\n", allocated*sizeof(t_Table)); *blocks = 0; return (NULL); } while (nelements > 0) { t_Table Table; /* if ok, set t_Table block number else exit loop */ block_number++; Table.block_number = block_number; /* access file at offset and get following block. Block number is from the set offset * hence the hardcoded 1 - i.e. the next block counted from offset.*/ nelements = Table_Read_Offset(&Table, File, 1, &offset,0); /*if the block is empty - don't store it*/ if (nelements>0){ /* if t_Table array is not long enough, expand and realocate */ if (block_number >= allocated-1) { allocated += 256; Table_Arraytmp = (t_Table *)realloc(Table_Array, allocated*sizeof(t_Table)); if (!Table_Arraytmp) { fprintf(stderr, "Error: Can not re-allocate memory %zi (Table_Read_Array).\n", allocated*sizeof(t_Table)); free(Table_Array); *blocks = 0; return (NULL); } else { Table_Array = Table_Arraytmp; } } /* store it into t_Table array */ //snprintf(Table.filename, 1024, "%s#%li", File, block_number-1); Table_Array[block_number-1] = Table; } /* continues until we find an empty block */ } /* send back number of extracted blocks */ if (blocks) *blocks = block_number-1; /* now store total number of elements in Table array */ for (offset=0; offset < block_number; Table_Array[offset++].array_length = block_number-1); return(Table_Array); } /* end Table_Read_Array */ /******************************************************************************* * void Table_Free_Array(t_Table *Table) * ACTION: free a Table array *******************************************************************************/ void Table_Free_Array(t_Table *Table) { long index; if (!Table) return; for (index=0;index < Table[0].array_length; index++){ Table_Free(&Table[index]); } free(Table); } /* end Table_Free_Array */ /****************************************************************************** * long Table_Info_Array(t_Table *Table) * ACTION: print informations about a Table array * return: number of elements in the Table array *******************************************************************************/ long Table_Info_Array(t_Table *Table) { long index=0; if (!Table) return(-1); while (index < Table[index].array_length && (Table[index].data || Table[index].header) && (Table[index].rows*Table[index].columns) ) { Table_Info(Table[index]); index++; } printf("This Table array contains %li elements\n", index); return(index); } /* end Table_Info_Array */ /****************************************************************************** * char **Table_ParseHeader(char *header, symbol1, symbol2, ..., NULL) * ACTION: search for char* symbols in header and return their value or NULL * the search is not case sensitive. * Last argument MUST be NULL * return: array of char* with line following each symbol, or NULL if not found *******************************************************************************/ #ifndef MyNL_ARGMAX #define MyNL_ARGMAX 50 #endif char **Table_ParseHeader_backend(char *header, ...){ va_list ap; char exit_flag=0; int counter =0; char **ret =NULL; if (!header || header[0]=='\0') return(NULL); ret = (char**)calloc(MyNL_ARGMAX, sizeof(char*)); if (!ret) { printf("Table_ParseHeader: Cannot allocate %i values array for Parser (Table_ParseHeader).\n", MyNL_ARGMAX); return(NULL); } for (counter=0; counter < MyNL_ARGMAX; ret[counter++] = NULL); counter=0; va_start(ap, header); while(!exit_flag && counter < MyNL_ARGMAX-1) { char *arg_char=NULL; char *pos =NULL; /* get variable argument value as a char */ arg_char = va_arg(ap, char *); if (!arg_char || arg_char[0]=='\0'){ exit_flag = 1; break; } /* search for the symbol in the header */ pos = (char*)strcasestr(header, arg_char); if (pos) { char *eol_pos; eol_pos = strchr(pos+strlen(arg_char), '\n'); if (!eol_pos) eol_pos = strchr(pos+strlen(arg_char), '\r'); if (!eol_pos) eol_pos = pos+strlen(pos)-1; ret[counter] = (char*)malloc(eol_pos - pos); if (!ret[counter]) { printf("Table_ParseHeader: Cannot allocate value[%i] array for Parser searching for %s (Table_ParseHeader).\n", counter, arg_char); exit_flag = 1; break; } strncpy(ret[counter], pos+strlen(arg_char), eol_pos - pos - strlen(arg_char)); ret[counter][eol_pos - pos - strlen(arg_char)]='\0'; } counter++; } va_end(ap); return(ret); } /* Table_ParseHeader */ /****************************************************************************** * double Table_Interp1d(x, x1, y1, x2, y2) * ACTION: interpolates linearly at x between y1=f(x1) and y2=f(x2) * return: y=f(x) value *******************************************************************************/ double Table_Interp1d(double x, double x1, double y1, double x2, double y2) { double slope; if (x2 == x1) return (y1+y2)/2; if (y1 == y2) return y1; slope = (y2 - y1)/(x2 - x1); return y1+slope*(x - x1); } /* Table_Interp1d */ /****************************************************************************** * double Table_Interp1d_nearest(x, x1, y1, x2, y2) * ACTION: table lookup with nearest method at x between y1=f(x1) and y2=f(x2) * return: y=f(x) value *******************************************************************************/ double Table_Interp1d_nearest(double x, double x1, double y1, double x2, double y2) { if (fabs(x-x1) < fabs(x-x2)) return (y1); else return(y2); } /* Table_Interp1d_nearest */ /****************************************************************************** * double Table_Interp2d(x,y, x1,y1, x2,y2, z11,z12,z21,z22) * ACTION: interpolates bi-linearly at (x,y) between z1=f(x1,y1) and z2=f(x2,y2) * return: z=f(x,y) value * x,y | x1 x2 * ---------------- * y1 | z11 z21 * y2 | z12 z22 *******************************************************************************/ double Table_Interp2d(double x, double y, double x1, double y1, double x2, double y2, double z11, double z12, double z21, double z22) { double ratio_x, ratio_y; if (x2 == x1) return Table_Interp1d(y, y1,z11, y2,z12); if (y1 == y2) return Table_Interp1d(x, x1,z11, x2,z21); ratio_y = (y - y1)/(y2 - y1); ratio_x = (x - x1)/(x2 - x1); return (1-ratio_x)*(1-ratio_y)*z11 + ratio_x*(1-ratio_y)*z21 + ratio_x*ratio_y*z22 + (1-ratio_x)*ratio_y*z12; } /* Table_Interp2d */ /* end of read_table-lib.c */ #endif // READ_TABLE_LIB_C /*A library for computing reflectivity in surfaces with multilayers etc.*/ #include #include #include double Table_Value2d(t_Table, double, double); enum reflec_Type {COATING_UNDEFINED=0,CONSTANT=1,BARE, COATING, Q_PARAMETRIC, PARRATT, ETH_PARAMETRIC, KINEMATIC, UNDETERMINED}; #define NAME_CONSTANT "constant" #define NAME_BARE "bare" #define NAME_COATING "coating" #define NAME_Q_PARAMETRIC "q" #define NAME_PARRATT "parratt" #define NAME_ETH_PARAMETRIC "eth" #define NAME_KINEMATIC "kinematic" typedef struct t_reflec_constant{ double complex R; } t_reflec_constant; typedef struct t_reflec_bare{ char matrl[256]; double d; } t_reflec_bare; typedef struct t_reflec_coating{ char matrl[256]; t_Table *T; double d; double rho,Z,At; }t_reflec_coating; typedef struct t_reflec_q_prmtc{ char fname[256]; t_Table *T; double qmin,qmax; } t_reflec_q_prmtc; typedef struct t_reflec_parratt{ int N; double *d, *delta, *beta; } t_reflec_parratt; /**Multilayer in the kinematical approximation*/ typedef struct t_reflec_kinematic{ int N;/**The number of bilayers in the multilayer*/ double Gamma;/**The fraction of thickness of high e-density material*/ double Lambda;/**The thickness of the bilayer*/ double rho_AB;/**Electron density contrast between material A and B*/ } t_reflec_kinematic; typedef struct t_reflec_eth_prmtc{ char fname[256]; t_Table *T; double emin,emax,estep;/*energy range*/ double thetamin,thetamax,thetastep;/*incidence angle range*/ } t_reflec_theta_e_prmtc; typedef struct reflec_T { enum reflec_Type type; union { struct t_reflec_bare rb; struct t_reflec_coating rc; struct t_reflec_q_prmtc rqpm; struct t_reflec_parratt rp; struct t_reflec_constant rconst; struct t_reflec_kinematic rk; struct t_reflec_eth_prmtc rethpm; } prms; } t_Reflec; /* reflectivity-lib.c */ int reflec_Init(t_Reflec *R, enum reflec_Type type, char *file, void *pars); int reflec_Init_File(t_Reflec *R, char* filename); int reflec_Init_parratt(t_Reflec *R, int N, double *d, double *delta, double *beta); int reflec_Init_kinematic(t_Reflec *R, int N, double Gamma, double Lambda, double rhoAB); int reflec_Init_const(t_Reflec *R, double R0); #pragma acc routine double complex refleccq(t_Reflec r_handle, double q, double g, double k, double theta ); #pragma acc routine double reflecq(t_Reflec r_handle, double q, double g, double k, double theta ); #pragma acc routine double complex reflecc(t_Reflec r_handle, double kix, double kiy, double kiz, double kfx, double kfy, double kfz, double g ); #pragma acc routine double complex reflec_coating(t_Reflec r_handle, double q, double g, double k); #pragma acc routine double complex reflec_bare(t_Reflec r_handle, double q, double g); #pragma acc routine double complex reflec_q_prmtc(t_Reflec r_handle, double q, double g); #pragma acc routine double complex reflec_parratt(t_Reflec r_handle, double q, double g, double k); #pragma acc routine double complex reflec_kinematic(t_Reflec r_handle, double q, double g); #pragma acc routine double complex parrat_reflec_bulk(int lc, double *delta, double *beta, double *d, double k, double q); #pragma acc routine double complex reflec_eth_prmtc(t_Reflec r_handle, double e, double theta, double g); enum reflec_Type get_table_reflec_type(t_Table *t); #include #include #include #include #ifdef REFLIBNAME #undef REFLIBNAME #endif #define REFLIBNAME "reflectivity-lib" /*Single entry point init function. This will determine the underlying init function base on the type paremeter. If the typoe is UNDEFINED, will try to read a datafile and guess from its structure. Else will try to unpack parameters from the array of doubles. Another option is to call the specific init functions directly. E.g reflec_Init_parratt etc.*/ int reflec_Init(t_Reflec *R, enum reflec_Type typ, char *file, void *pars){ if (R==NULL){ R=calloc(1,sizeof(t_Reflec)); } int status; R->type=typ; switch(typ){ case COATING_UNDEFINED: { /*no type is given: Assume that it is stated as a #param= item in the datafile header*/ reflec_Init_File(R,file); break; } case CONSTANT: { if (pars){ reflec_Init_const(R,((double *)pars)[0]); }else{ reflec_Init_const(R,0); } break; } case PARRATT: { /*cast the first address to be a scalar integer. The latter ones are pointers to double arrays.*/ int N=(unsigned int)((double **) pars)[0]; if(pars){ reflec_Init_parratt(R, N,((double **) pars)[1], ((double **) pars)[2], ((double **) pars)[3]); }else{ fprintf(stderr,"Warning: %s: No parameters specified to Parratt reflectivity algortihm. Setting R=0.\n", REFLIBNAME); R->type=CONSTANT; R->prms.rconst.R=0; } break; } case KINEMATIC: { if(pars){ reflec_Init_kinematic(R, (int) ((double *)pars)[0],((double *)pars)[1],((double *)pars)[2],((double *)pars)[3]); }else{ reflec_Init_kinematic(R, (int) 0, 0.0, 0.0, 0.0); } break; } case BARE: { stracpy(R->prms.rb.matrl,file,255); reflec_Init_File(R,R->prms.rb.matrl); break; } case COATING: { stracpy(R->prms.rc.matrl,file,255); reflec_Init_File(R,R->prms.rc.matrl); break; } case Q_PARAMETRIC: { stracpy(R->prms.rqpm.fname,file,255); reflec_Init_File(R,R->prms.rqpm.fname); break; } case ETH_PARAMETRIC: { stracpy(R->prms.rethpm.fname,file,255); reflec_Init_File(R,R->prms.rethpm.fname); break; } default: { fprintf(stderr,"Error: %s: Undetermined reflectivity parameterization type. Setting R=0.\n", REFLIBNAME); free(R); R=NULL; return -1; } } return 0; } int reflec_Init_parratt(t_Reflec *R, int N, double *d, double *delta, double *beta){ R->type=PARRATT; R->prms.rp.N=N; R->prms.rp.d=d; R->prms.rp.delta=delta; R->prms.rp.beta=beta; return 0; } int reflec_Init_kinematic(t_Reflec *R, int N, double Gamma, double Lambda, double rhoAB){ R->type=KINEMATIC; R->prms.rk.N=N; R->prms.rk.Gamma=Gamma; R->prms.rk.Lambda=Lambda; R->prms.rk.rho_AB=rhoAB; return 0; } int reflec_Init_const(t_Reflec *R, double R0){ R->type=CONSTANT; R->prms.rconst.R=R0; return 0; } /* Initialize a container object for various types of reflectivity parametrization using * an input file as source.*/ int reflec_Init_File(t_Reflec *R, char *filename){ if (R==NULL){ R=calloc(1,sizeof(t_Reflec)); } /*a pointer representation has to be used here - otherwise the memory may be garbage collected upon return from this function.*/ t_Table *table=malloc(sizeof(t_Table)); /*if the filename is neither empty, blank, nor "NULL" read it, else return a constant opaque surface (R=0)*/ int status; if(!(filename && strlen(filename) && strcmp(filename,"NULL") && (status = Table_Read(table, filename, 1)!=-1) ) ) { fprintf(stderr,"Warning: %s: No reflectivity file given. Surface is opaque.\n", REFLIBNAME); R->type=CONSTANT; R->prms.rconst.R=0; return 0; } /*if the type has not already been set try to extract it from file header*/ if (R->type==UNDETERMINED || R->type==COATING_UNDEFINED){ R->type=get_table_reflec_type(table); } switch(R->type){ case CONSTANT: { R->prms.rconst.R=Table_Index(*table, 0, 0); break; } case BARE: { char** header_parsed=Table_ParseHeader(table->header,"material", "d", NULL); if(!header_parsed[0] || !header_parsed[1] ){ fprintf(stderr,"Error: %s: Could not parse file \"%s\".\n", REFLIBNAME, filename); exit(-1); } stracpy(R->prms.rb.matrl,header_parsed[0],255); R->prms.rb.d=strtod(header_parsed[1], NULL); break; } case COATING: { char **header_parsed=Table_ParseHeader(table->header, "material", "Z", "A[r]", "rho", "d", NULL); if(!(header_parsed[1] && header_parsed[2] && header_parsed[3])){ fprintf(stderr,"Error: %s: Could not parse file \"%s\".\n", REFLIBNAME,filename); exit(-1); } else { stracpy(R->prms.rc.matrl,header_parsed[0],255); R->prms.rc.T = table; R->prms.rc.d = strtod(header_parsed[4], NULL); R->prms.rc.rho=strtod(header_parsed[3],NULL); R->prms.rc.Z=strtod(header_parsed[1],NULL); R->prms.rc.At=strtod(header_parsed[2],NULL); } break; } case Q_PARAMETRIC: { stracpy(R->prms.rqpm.fname,filename,255); R->prms.rqpm.T=table; R->prms.rqpm.qmin=Table_Index(*table,0,0); R->prms.rqpm.qmax=Table_Index(*table,table->rows,0); break; } case PARRATT: { char **header_parsed = Table_ParseHeader(table->header, "#N=", "#d=", "#delta=", "#beta=", NULL); if (! (header_parsed[0] && header_parsed[1] && header_parsed[2] && header_parsed[3])){ fprintf(stderr,"Error: %s: Could not parse file \"%s\".\n", REFLIBNAME,filename); exit(-1); } unsigned long N=strtol(header_parsed[0], NULL, 10); R->prms.rp.N = N; R->prms.rp.d = calloc(N,sizeof(double)); *(R->prms.rp.d) = strtod(header_parsed[1], NULL); R->prms.rp.delta = calloc(N,sizeof(double)); *(R->prms.rp.delta) = strtod(header_parsed[2], NULL); R->prms.rp.beta = calloc(N,sizeof(double)); *(R->prms.rp.beta) = strtod(header_parsed[3], NULL); break; } case KINEMATIC: { char **header_parsed = Table_ParseHeader(table->header, "#N=", "#gamma=", "#lambda=", "#rho_ab=", NULL); if (! (header_parsed[0] && header_parsed[1] && header_parsed[2] && header_parsed[3] && header_parsed[4])){ fprintf(stderr,"Error: %s: Could not parse file \"%s\".\n", REFLIBNAME,filename); exit(-1); } R->prms.rk.N = strtol(header_parsed[0], NULL, 10); R->prms.rk.Gamma = strtod(header_parsed[2], NULL); R->prms.rk.Lambda = strtod(header_parsed[3], NULL); R->prms.rk.rho_AB = strtod(header_parsed[4], NULL); break; } case ETH_PARAMETRIC: { stracpy(R->prms.rethpm.fname,filename,255); R->prms.rethpm.T=table; /*parse header for E_min E_max etc.*/ char **header_parsed = Table_ParseHeader(table->header,"e_min=","e_max=","theta_min=","theta_max=",NULL); if (!(header_parsed[0] && header_parsed[1] && header_parsed[2] && header_parsed[3])){ fprintf(stderr,"Error: %s: Could not parse file \"%s\".\n", REFLIBNAME,filename); //1619 exit(-1); } R->prms.rethpm.emin=strtod(header_parsed[0],NULL); R->prms.rethpm.emax=strtod(header_parsed[1],NULL); R->prms.rethpm.thetamin=strtod(header_parsed[2],NULL); R->prms.rethpm.thetamax=strtod(header_parsed[3],NULL); int rows = R->prms.rethpm.T->rows; int cols = R->prms.rethpm.T->columns; if(rows == 0){ //implies cols == 0 as well fprintf(stderr,"Error: %s: File %s contains no table.\n", REFLIBNAME, filename); exit(1); } else { if(rows == 1){ printf("Warning: %s: File %s contains only a single row. Setting e_step = 0.\n", REFLIBNAME, filename); R->prms.rethpm.estep=0; } else { R->prms.rethpm.estep=(R->prms.rethpm.emax - R->prms.rethpm.emin)/(rows-1); } if(cols == 1){ printf("Warning: %s: File %s contains only a single column. Setting theta_step = 0.\n", REFLIBNAME, filename); R->prms.rethpm.thetastep=0; } else { R->prms.rethpm.thetastep=(R->prms.rethpm.thetamax - R->prms.rethpm.thetamin)/(cols-1); } } break; } case UNDETERMINED: default: { fprintf(stderr,"Warning: %s: Undetermined reflectivity parametrization type. R set to 1.\n", REFLIBNAME); return 1; } } return 0; } enum reflec_Type get_table_reflec_type(t_Table *t){ char **header_parsed = Table_ParseHeader(t->header,"param=",NULL); char *type = header_parsed[0]; if(!type){ /*type of reflectivity file is not specified - try to guess instead*/ header_parsed = Table_ParseHeader(t->header,"Z",NULL); long Z = strtol(header_parsed[0],NULL,0); if(Z >0 && Z<116){ /*this appears to be a coating file similar to Pt.txt and Be.txt (in the mcxtrace data library*/ printf("INFO: %s: Datafile type not explicit in reflectivity file %s.\n" " Inferring type COATING from datafile.\n", REFLIBNAME, t->filename); return COATING; }else{ fprintf(stderr,"Error: %s: Could not determine reflectivity type from file %s.\n", REFLIBNAME, t->filename); exit(-1); } } /*for this to work well we need to trim the type string*/ while (isspace(*type)){ type++; } char *back = type+strlen(type); while (isspace(*(--back))){ *(back++)='\0'; } printf("INFO: %s: Reflectivity parameterization type: \'%s\'\n",REFLIBNAME, type); if(strcmp(type, NAME_CONSTANT) == 0){ return CONSTANT; } else if(strcmp(type, NAME_BARE) == 0){ return BARE; } else if(strcmp(type, NAME_COATING) == 0){ return COATING; } else if(strcmp(type, NAME_Q_PARAMETRIC) == 0){ return Q_PARAMETRIC; } else if(strcmp(type, NAME_PARRATT) == 0){ return PARRATT; } else if(strcmp(type, NAME_ETH_PARAMETRIC) == 0){ return ETH_PARAMETRIC; } else if(strcmp(type, NAME_KINEMATIC) == 0){ return KINEMATIC; } else { printf("Error: %s: \'%s\'; is not a known parametrization!", REFLIBNAME, type); exit(-1); } } /*This section contains the functions that compute the actual reflectivity*/ double complex reflec_coating(t_Reflec r_handle, double q, double g, double k){ struct t_reflec_coating *ptr=&(r_handle.prms.rc); /*adjust p according to reflectivity*/ double Qc,f1,f2,na,e; /*length of wavevector transfer may be compute from s and n_ above*/ /*interpolate in material data*/ e=K2E*k; f1=Table_Value(*(ptr->T),e,1); f2=Table_Value(*(ptr->T),e,2); /*the conversion factor in the end is to transform the atomic density from cm^-3 to AA^-3 -> therefore we get Q in AA^-1*/ na=NA*ptr->rho/ptr->At*1e-24; Qc=4*sqrt(M_PI*na*RE*f1); double complex qp,qn,rr; double b_mu,R; qn=q/Qc; /*delta=na*r0*2*M_PI/k2*f1;*/ /*beta=na*r0*2*M_PI/k^2*f2; b_mu=beta*(2*k)^2 / Qc^2*/ b_mu=8*M_PI*na*RE*f2/(Qc*Qc); if(qn==1){ qp=sqrt(b_mu)*(1+I); }else { qp=csqrt((qn*qn)-1+2*I*b_mu); } /*and from this compute the reflectivity*/ rr=(qn-qp)/(qn+qp); return rr; } double complex reflec_bare(t_Reflec r_handle, double q, double g){ return 0.0; } double complex reflec_kinematic(t_Reflec r_handle, double q, double g){ double complex r1,rN; struct t_reflec_kinematic *ptr=&(r_handle.prms.rk); double zeta=ptr->Lambda*q/(2*M_PI); double beta=0; r1 = -2*I*RE* ptr->rho_AB * (pow(ptr->Lambda,2.0)*ptr->Gamma/zeta) * sin(M_PI*ptr->Gamma*zeta)/(M_PI*ptr->Gamma*zeta); rN = r1*(1-cexp(I*2*M_PI*zeta*ptr->N)*exp(-beta*ptr->N))/(1-cexp(I*2*M_PI*zeta)*exp(beta)); return rN; } double complex reflec_q_prmtc(t_Reflec r_handle, double q, double g){ double r; struct t_reflec_q_prmtc *ptr=&(r_handle.prms.rqpm); if (ptr->T->columns>2){ double c=(ptr->T->columns-2)*g+1; r=Table_Value2d(*(ptr->T),ptr->T->rows*q/(ptr->qmax-ptr->qmin),c); }else{ r=Table_Value(*(ptr->T),q,1); } return (double complex)r; } double complex reflec_eth_prmtc(t_Reflec r_handle, double g, double e, double th){ double r,ec,thc; struct t_reflec_eth_prmtc *ptr=&(r_handle.prms.rethpm); ec=(ptr->T->rows-1) * (e-ptr->emin)/(ptr->emax - ptr->emin); thc=(ptr->T->columns-1)*(th-ptr->thetamin)/(ptr->thetamax - ptr->thetamin); r=Table_Value2d(*(ptr->T),ec,thc); return (double complex)r; } /* Entry function to Parratt's recursive algorithm for multilayers.*/ double complex reflec_parratt(t_Reflec r_handle, double q, double g, double k){ double complex r,qp,rp; double k2; double complex qinf; double qpd,rd,p; t_reflec_parratt *pp=&(r_handle.prms.rp); qp=q; qpd=csqrt(q*q - 8*k2* *(pp->delta) + I*8*k2* *(pp->beta)); k2=k*k; if (pp->N>0){ rp=(qp-qpd)/(qp+qpd); rd=parrat_reflec_bulk(pp->N,pp->delta,pp->beta,pp->d,k,q); p=cexp(I*qpd* *(pp->d)); r = (rp+p*rd)/(1+rp*rd*p); }else{ r = (qp-qpd)/(qp+qpd); } return r; } /* Lower layer function fo rParratt's recursive algorithm. Here recursion * takes place by calls to itself.*/ double complex parrat_reflec_bulk(int N, double *delta, double *beta, double *d, double k, double q){ double complex qp,rp,rr; double k2=k*k; double complex qinf; double complex qpd,rpd,p; qp=csqrt(q*q - 8*k2* *delta + I*8*k2* *beta); qpd=csqrt(q*q - 8*k2* *(delta+1) + I*8*k2* *(beta+1)); if (N>1){ rp=(qp-qpd)/(qp+qpd); rpd=parrat_reflec_bulk(N-1,(delta+1),(beta+1),(d+1),k,q); p=cexp(I*qpd* d[1]); rr= (rp+p*rpd)/(1+rp*rpd*p); } if (N==1){ /*the bottom layer (on top of substrate)*/ rr=(qp-qpd)/(qp+qpd); } return rr; } /* Dispatcher functions that call the underlying computations depending on the type of reflectivity*/ double complex refleccq( t_Reflec r_handle, double q, double g, double k, double theta){ double complex r; /*using the normalized coordinate g which lies along the grading direction*/ switch(r_handle.type){ case CONSTANT: { r=r_handle.prms.rconst.R; break; } case BARE: { r=reflec_bare(r_handle,q,g); break; } case COATING: { r=reflec_coating(r_handle,q,g,k); break; } case Q_PARAMETRIC: { r=reflec_q_prmtc(r_handle,q,g); break; } /* case PARRATT:*/ /* {*/ /* r=reflec_parratt(r_handle,q,g,k);*/ /* break;*/ /* }*/ case ETH_PARAMETRIC: { r=reflec_eth_prmtc(r_handle,g,k*K2E,theta); break; } case KINEMATIC: { r=reflec_kinematic(r_handle,q,g); break; } default: { #ifndef OPENACC fprintf(stderr,"Error: %s: Undetermined reflectivity type. R set to 1.\n", REFLIBNAME); #endif r=1.0; } } return r; } double reflecq( t_Reflec r_handle, double q, double g, double k, double theta){ double r; switch(r_handle.type){ case CONSTANT: { r=fabs(r_handle.prms.rconst.R); break; } case BARE: { r=cabs(reflec_bare(r_handle,q,g)); break; } case COATING: { double complex rp; rp=reflec_coating(r_handle,q,g,k); r= sqrt(creal(rp * conj(rp))); break; } case Q_PARAMETRIC: { r=cabs(reflec_q_prmtc(r_handle,q,g)); break; } /*case PARRATT: { r=cabs(reflec_parratt(r_handle,q,g,k)); break; }*/ case ETH_PARAMETRIC: { r=cabs(reflec_eth_prmtc(r_handle,g,k*K2E,theta)); break; } case KINEMATIC: { r=cabs(reflec_kinematic(r_handle,q,g)); break; } default: { #ifndef OPENACC fprintf(stderr,"Warning: %s: Undetermined reflectivity type. R set to 1.\n", REFLIBNAME); #endif r=1.0; } } return r; } double refleceth( t_Reflec r_handle,double e, double th, double g){ double q; double k=e*E2K; q=k*2.0*sin(th); if(r_handle.type==PARRATT || r_handle.type==COATING){ return reflecq(r_handle,q,g,k,0); }else{ return reflecq(r_handle,q,g,k,th); } } double complex reflecceth( t_Reflec r_handle,double e, double th, double g){ double q; double k=e*E2K; q=k*2.0*sin(th); if(r_handle.type==PARRATT){ return refleccq(r_handle,q,g,k,0); }else{ return refleccq(r_handle,q,g,k,th); } } struct potholestruct { double e_min, e_max, e_step, theta_min, theta_max, theta_step; int use_reflec_table; }; /* Shared user declarations for all components types 'Mirror'. */ /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright (C) 1997-2008, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Runtime: share/interoff.h * * %Identification * Written by: Reynald Arnerin * Date: Jun 12, 2008 * Release: * Version: * * Object File Format intersection header for McStas. Requires the qsort function. * * Such files may be obtained with e.g. * qhull < points.xyz Qx Qv Tv o > points.off * where points.xyz has format: * 3 * * * ... * The resulting file should have its first line being changed from '3' into 'OFF'. * It can then be displayed with geomview. * A similar, but somewhat older solution is to use 'powercrust' with e.g. * powercrust -i points.xyz * which will generate a 'pc.off' file to be renamed as suited. * *******************************************************************************/ #ifndef INTEROFF_LIB_H #define INTEROFF_LIB_H "$Revision$" #ifndef OFF_EPSILON #define OFF_EPSILON 1e-13 #endif #ifndef OFF_INTERSECT_MAX #ifdef OPENACC #define OFF_INTERSECT_MAX 100 #else #define OFF_INTERSECT_MAX 1024 #endif #endif //#include #define N_VERTEX_DISPLAYED 200000 typedef struct intersection { MCNUM time; //time of the intersection Coords v; //intersection point Coords normal; //normal vector of the surface intersected short in_out; //1 if the ray enters the volume, -1 otherwise short edge; //1 if the intersection is on the boundary of the polygon, and error is possible unsigned long index; // index of the face } intersection; typedef struct polygon { MCNUM* p; //vertices of the polygon in adjacent order, this way : x1 | y1 | z1 | x2 | y2 | z2 ... int npol; //number of vertices #pragma acc shape(p[0:npol]) init_needed(npol) Coords normal; double D; } polygon; typedef struct off_struct { long vtxSize; long polySize; long faceSize; Coords* vtxArray; #pragma acc shape(vtxArray[0:vtxSize]) init_needed(vtxSize) Coords* normalArray; #pragma acc shape(vtxArray[0:faceSize]) init_needed(faceSize) unsigned long* faceArray; #pragma acc shape(vtxArray[0:faceSize][0:polySize]) init_needed(faceSize,polySize) double* DArray; #pragma acc shape(vtxArray[0:polySize]) init_needed(polySize) char *filename; int mantidflag; long mantidoffset; intersection intersects[OFF_INTERSECT_MAX]; // After a call to off_intersect_all contains the list of intersections. int nextintersect; // 'Next' intersection (first t>0) solution after call to off_intersect_all int numintersect; // Number of intersections after call to off_intersect_all } off_struct; /******************************************************************************* * long off_init( char *offfile, double xwidth, double yheight, double zdepth, off_struct* data) * ACTION: read an OFF file, optionally center object and rescale, initialize OFF data structure * INPUT: 'offfile' OFF file to read * 'xwidth,yheight,zdepth' if given as non-zero, apply bounding box. * Specifying only one of these will also use the same ratio on all axes * 'notcenter' center the object to the (0,0,0) position in local frame when set to zero * RETURN: number of polyhedra and 'data' OFF structure *******************************************************************************/ long off_init( char *offfile, double xwidth, double yheight, double zdepth, int notcenter, off_struct* data); /******************************************************************************* * int off_intersect_all(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, double ax, double ay, double az, off_struct *data ) * ACTION: computes intersection of neutron trajectory with an object. * INPUT: x,y,z and vx,vy,vz are the position and velocity of the neutron * ax, ay, az are the local acceleration vector * data points to the OFF data structure * RETURN: the number of polyhedral which trajectory intersects * t0 and t3 are the smallest incoming and outgoing intersection times * n0 and n3 are the corresponding normal vectors to the surface * data is the full OFF structure, including a list intersection type *******************************************************************************/ #pragma acc routine int off_intersect_all(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, double ax, double ay, double az, off_struct *data ); /******************************************************************************* * int off_intersect(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, double ax, double ay, double az, off_struct data ) * ACTION: computes intersection of neutron trajectory with an object. * INPUT: x,y,z and vx,vy,vz are the position and velocity of the neutron * ax, ay, az are the local acceleration vector * data points to the OFF data structure * RETURN: the number of polyhedral which trajectory intersects * t0 and t3 are the smallest incoming and outgoing intersection times * n0 and n3 are the corresponding normal vectors to the surface *******************************************************************************/ #pragma acc routine int off_intersect(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, double ax, double ay, double az, off_struct data ); /***************************************************************************** * int off_intersectx(double* l0, double* l3, Coords *n0, Coords *n3, double x, double y, double z, double kx, double ky, double kz, off_struct data ) * ACTION: computes intersection of an xray trajectory with an object. * INPUT: x,y,z and kx,ky,kz, are spatial coordinates and wavevector of the x-ray * respectively. data points to the OFF data structure. * RETURN: the number of polyhedral the trajectory intersects * l0 and l3 are the smallest incoming and outgoing intersection lengths * n0 and n3 are the corresponding normal vectors to the surface *******************************************************************************/ #pragma acc routine int off_x_intersect(double *l0,double *l3, Coords *n0, Coords *n3, double x, double y, double z, double kx, double ky, double kz, off_struct data ); /******************************************************************************* * void off_display(off_struct data) * ACTION: display up to N_VERTEX_DISPLAYED points from the object *******************************************************************************/ void off_display(off_struct); /******************************************************************************* void p_to_quadratic(double eq[], Coords acc, Coords pos, Coords vel, double* teq) * ACTION: define the quadratic for the intersection of a parabola with a plane * INPUT: 'eq' plane equation * 'acc' acceleration vector * 'vel' velocity of the particle * 'pos' position of the particle * equation of plane A * x + B * y + C * z - D = 0 * eq[0] = (C*az)/2+(B*ay)/2+(A*ax)/2 * eq[1] = C*vz+B*vy+A*vx * eq[2] = C*z0+B*y0+A*x0-D * RETURN: equation of parabola: teq(0) * t^2 + teq(1) * t + teq(2) *******************************************************************************/ void p_to_quadratic(Coords norm, MCNUM d, Coords acc, Coords pos, Coords vel, double* teq); /******************************************************************************* int quadraticSolve(double eq[], double* x1, double* x2); * ACTION: solves the quadratic for the roots x1 and x2 * eq[0] * t^2 + eq[1] * t + eq[2] = 0 * INPUT: 'eq' the coefficients of the parabola * RETURN: roots x1 and x2 and the number of solutions *******************************************************************************/ int quadraticSolve(double* eq, double* x1, double* x2); #endif /* end of interoff-lib.h */ /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright (C) 1997-2008, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Runtime: share/interoff-lib.c * * %Identification * Written by: Reynald Arnerin * Date: Jun 12, 2008 * Origin: ILL * Release: $Revision$ * Version: McStas X.Y * * Object File Format intersection library for McStas. Requires the qsort function. * * Such files may be obtained with e.g. * qhull < points.xyz Qx Qv Tv o > points.off * where points.xyz has format (it supports comments): * 3 * * * ... * The resulting file should have its first line being changed from '3' into 'OFF'. * It can then be displayed with geomview. * A similar, but somewhat older solution is to use 'powercrust' with e.g. * powercrust -i points.xyz * which will generate a 'pc.off' file to be renamed as suited. * *******************************************************************************/ #ifndef INTEROFF_LIB_H #include "interoff-lib.h" #endif #ifndef INTEROFF_LIB_C #define INTEROFF_LIB_C "$Revision$" #ifdef OPENACC // If on GPU map fprintf to printf #define fprintf(stderr,...) printf(__VA_ARGS__) #endif #pragma acc routine double off_F(double x, double y,double z,double A,double B,double C,double D) { return ( A*x + B*y + C*z + D ); } #pragma acc routine char off_sign(double a) { if (a<0) return(-1); else if (a==0) return(0); else return(1); } // off_normal ****************************************************************** //gives the normal vector of p #pragma acc routine void off_normal(Coords* n, polygon p) { //using Newell method int i=0,j=0; n->x=0;n->y=0;n->z=0; for (i = 0, j = p.npol-1; i < p.npol; j = i++) { MCNUM x1=p.p[3*i], y1=p.p[3*i+1], z1=p.p[3*i+2]; MCNUM x2=p.p[3*j], y2=p.p[3*j+1], z2=p.p[3*j+2]; // n is the cross product of v1*v2 n->x += (y1 - y2) * (z1 + z2); n->y += (z1 - z2) * (x1 + x2); n->z += (x1 - x2) * (y1 + y2); } } /* off_normal */ // off_pnpoly ****************************************************************** //based on http://www.ecse.rpi.edu/Homepages/wrf/Research/Short_Notes/pnpoly.html //return 0 if the vertex is out // 1 if it is in // -1 if on the boundary #pragma acc routine int off_pnpoly(polygon p, Coords v) { int i=0, c = 0; MCNUM minx=FLT_MAX,maxx=-FLT_MAX,miny=FLT_MAX,maxy=-FLT_MAX,minz=FLT_MAX,maxz=-FLT_MAX; MCNUM areax=0,areay=0,areaz=0; int pol2dx=0,pol2dy=1; //2d restriction of the poly MCNUM x=v.x,y=v.y; /*areax: projected area with x-scratched = |v1_yz x v2_yz|, where v1=(x1-x0,0,z1-z0) & v2=(x2-x0,0,z2-z0).*/ /* In principle, if polygon is triangle area should be scaled by 1/2, but this is irrelevant for finding the maximum area.*/ /* Similarly for y and z scratched.*/ areax=coords_len(coords_xp( coords_set(0,p.p[3*1+1]-p.p[0+1],p.p[3*1+2]-p.p[0+2]), coords_set(0,p.p[3*2+1]-p.p[0+1],p.p[3*2+2]-p.p[0+2]))); areay=coords_len(coords_xp( coords_set(p.p[3*1+0]-p.p[0+0],0,p.p[3*1+2]-p.p[0+2]), coords_set(p.p[3*2+0]-p.p[0+0],0,p.p[3*2+2]-p.p[0+2]))); areaz=coords_len(coords_xp( coords_set(p.p[3*1+0]-p.p[0+0],p.p[3*1+1]-p.p[0+1],0), coords_set(p.p[3*2+0]-p.p[0+0],p.p[3*2+1]-p.p[0+1],0))); if(areaztime = inter->edge = inter->in_out=0; inter->v = inter->normal = coords_set(0,0,1); if (fabs(ndir) < OFF_EPSILON) // ray is parallel to polygon plane { if (nw0 == 0) // ray lies in polygon plane (infinite number of solution) return 0; else return 0; // ray disjoint from plane (no solution) } // get intersect point of ray with polygon plane inter->time = nw0 / ndir; //parametric value the point on line (a,b) inter->v = coords_set(a.x + inter->time * dir.x,// intersect point of ray and plane a.y + inter->time * dir.y, a.z + inter->time * dir.z); int res=off_pnpoly(p,inter->v); inter->edge=(res==-1); if (ndir<0) inter->in_out=1; //the negative dot product means we enter the surface else inter->in_out=-1; inter->normal=p.normal; return res; //true if the intersection point lies inside the poly } /* off_intersectPoly */ // off_getBlocksIndex ********************************************************** /*reads the indexes at the beginning of the off file as this : line 1 OFF line 2 nbVertex nbFaces nbEdges */ FILE *off_getBlocksIndex(char* filename, long* vtxSize, long* polySize ) { FILE* f = Open_File(filename,"r", NULL); /* from read_table-lib: FILE *Open_File(char *name, char *Mode, char *path) */ if (!f) return (f); char line[CHAR_BUF_LENGTH]; char *ret=0; *vtxSize = *polySize = 0; /* **************** start to read the file header */ /* OFF file: 'OFF' or '3' */ ret=fgets(line,CHAR_BUF_LENGTH , f);// line 1 = "OFF" if (ret == NULL) { fprintf(stderr, "Error: Can not read 1st line in file %s (interoff/off_getBlocksIndex)\n", filename); exit(1); } if (strlen(line)>5) { fprintf(stderr,"Error: First line in %s is too long (=%lu). Possibly the line is not terminated by '\\n'.\n" " The first line is required to be exactly 'OFF', '3' or 'ply'.\n", filename,(long unsigned)strlen(line)); fclose(f); return(NULL); } if (strncmp(line,"OFF",3) && strncmp(line,"3",1) && strncmp(line,"ply",1)) { fprintf(stderr, "Error: %s is probably not an OFF, NOFF or PLY file (interoff/off_getBlocksIndex).\n" " Requires first line to be 'OFF', '3' or 'ply'.\n",filename); fclose(f); return(NULL); } if (!strncmp(line,"OFF",3) || !strncmp(line,"3",1)) { do /* OFF file: skip # comments which may be there */ { ret=fgets(line,CHAR_BUF_LENGTH , f); if (ret == NULL) { fprintf(stderr, "Error: Can not read line in file %s (interoff/off_getBlocksIndex)\n", filename); exit(1); } } while (line[0]=='#'); //line = nblines of vertex,faces and edges arrays sscanf(line,"%lu %lu",vtxSize,polySize); } else { do /* PLY file: read all lines until find 'end_header' and locate 'element faces' and 'element vertex' */ { ret=fgets(line,CHAR_BUF_LENGTH , f); if (ret == NULL) { fprintf(stderr, "Error: Can not read line in file %s (interoff/off_getBlocksIndex)\n", filename); exit(1); } if (!strncmp(line,"element face",12)) sscanf(line,"element face %lu",polySize); else if (!strncmp(line,"element vertex",14)) sscanf(line,"element vertex %lu",vtxSize); else if (!strncmp(line,"format binary",13)) exit(fprintf(stderr, "Error: Can not read binary PLY file %s, only 'format ascii' (interoff/off_getBlocksIndex)\n%s\n", filename, line)); } while (strncmp(line,"end_header",10)); } /* The FILE is left opened ready to read 'vtxSize' vertices (vtxSize *3 numbers) and then polySize polygons (rows) */ return(f); } /* off_getBlocksIndex */ // off_init_planes ************************************************************* //gives the equations of 2 perpandicular planes of [ab] #pragma acc routine void off_init_planes(Coords a, Coords b, MCNUM* A1, MCNUM* C1, MCNUM* D1, MCNUM *A2, MCNUM* B2, MCNUM* C2, MCNUM* D2) { //direction vector of [a b] Coords dir={b.x-a.x, b.y-a.y, b.z-a.z}; //the plane parallel to the 'y' is computed with the normal vector of the projection of [ab] on plane 'xz' *A1= dir.z; *C1=-dir.x; if(*A1!=0 || *C1!=0) *D1=-(a.x)*(*A1)-(a.z)*(*C1); else { //the plane does not support the vector, take the one parallel to 'z'' *A1=1; //B1=dir.x=0 *D1=-(a.x); } //the plane parallel to the 'x' is computed with the normal vector of the projection of [ab] on plane 'yz' *B2= dir.z; *C2=-dir.y; *A2= 0; if (*B2==0 && *C2==0) { //the plane does not support the vector, take the one parallel to 'z' *B2=1; //B1=dir.x=0 *D2=-(a.y); } else { if (dir.z==0) { //the planes are the same, take the one parallel to 'z' *A2= dir.y; *B2=-dir.x; *D2=-(a.x)*(*A2)-(a.y)*(*B2); } else *D2=-(a.y)**B2-(a.z)**C2; } } /* off_init_planes */ // off_clip_3D_mod ************************************************************* #pragma acc routine int off_clip_3D_mod(intersection* t, Coords a, Coords b, Coords* vtxArray, unsigned long vtxSize, unsigned long* faceArray, unsigned long faceSize, Coords* normalArray) { MCNUM A1=0, C1=0, D1=0, A2=0, B2=0, C2=0, D2=0; //perpendicular plane equations to [a,b] off_init_planes(a, b, &A1, &C1, &D1, &A2, &B2, &C2, &D2); int t_size=0; MCNUM popol[3*4]; /*3 dimensions and max 4 vertices to form a polygon*/ unsigned long i=0,indPoly=0; //exploring the polygons : i=indPoly=0; while (iOFF_INTERSECT_MAX) { fprintf(stderr, "Warning: number of intersection exceeded (%d) (interoff-lib/off_clip_3D_mod)\n", OFF_INTERSECT_MAX); return (t_size); } #endif //both planes intersect the polygon, let's find the intersection point //our polygon : int k; for (k=0; k t[0].time) { t[0]=x; } } else { /* Case 2, positive time */ intersection xtmp; if (x.time < t[3].time) { t[3]=x; if (t[3].time < t[2].time) { xtmp = t[2]; t[2] = t[3]; t[3] = xtmp; } if (t[2].time < t[1].time) { xtmp = t[1]; t[1] = t[2]; t[2] = xtmp; } } } #endif } } /* if (jCHAR_BUF_LENGTH) { fprintf(stderr, "Warning: number of intersection exceeded (%d) (interoff-lib/off_clip_3D_mod)\n", CHAR_BUF_LENGTH); return (t_size); } //both planes intersect the polygon, let's find the intersection point //our polygon : int k; for (k=0; k= 1) { double time = 1.0e36; if (x1 < time && x1 > 0.0) { time = x1; } if (nsol == 2 && x2 < time && x2 > 0.0) { time = x2; } if (time != 1.0e36) { intersection inters; double t2 = time * time * 0.5; double tx = pos.x + time * vel.x; if (acc.x != 0.0) { tx = tx + t2 * acc.x; } double ty = pos.y + time * vel.y; if (acc.y != 0.0) { ty = ty + t2 * acc.y; } double tz = pos.z + time * vel.z; if (acc.z != 0.0) { tz = tz + t2 * acc.z; } inters.v = coords_set(tx, ty, tz); Coords tvel = coords_set(vel.x + time * acc.x, vel.y + time * acc.y, vel.z + time * acc.z); inters.time = time; inters.normal = pol.normal; inters.index = indPoly; int res=off_pnpoly(pol,inters.v); if (res != 0) { inters.edge=(res==-1); MCNUM ndir = scalar_prod(pol.normal.x,pol.normal.y,pol.normal.z,tvel.x,tvel.y,tvel.z); if (ndir<0) { inters.in_out=1; //the negative dot product means we enter the surface } else { inters.in_out=-1; } #ifdef OFF_LEGACY t[t_size++]=inters; #else /* Check against our 4 existing times, starting from [-FLT_MAX, FLT_MAX, FLT_MAX, FLT_MAX] */ /* Case 1, negative time? */ if (t_size < 4) t_size++; if (inters.time < 0) { if (inters.time > t[0].time) { t[0]=inters; } } else { /* Case 2, positive time */ intersection xtmp; if (inters.time < t[3].time) { t[3]=inters; if (t[3].time < t[2].time) { xtmp = t[2]; t[2] = t[3]; t[3] = xtmp; } if (t[2].time < t[1].time) { xtmp = t[1]; t[1] = t[2]; t[2] = xtmp; } } } #endif } } } i += pol.npol; indPoly++; } /* while itime - pb->time); } /* off_compare */ // off_cleanDouble ************************************************************* //given an array of intersections throw those which appear several times //returns 1 if there is a possibility of error #pragma acc routine int off_cleanDouble(intersection* t, int* t_size) { int i=1; intersection prev=t[0]; while (i<*t_size) { int j=i; //for each intersection with the same time while (j<*t_size && fabs(prev.time-t[j].time)maxx) maxx=vtxArray[i].x; if (vtxArray[i].ymaxy) maxy=vtxArray[i].y; if (vtxArray[i].zmaxz) maxz=vtxArray[i].z; i++; // inquire next vertex } // resizing and repositioning params double centerx=0, centery=0, centerz=0; if (!notcenter) { centerx=(minx+maxx)*0.5; centery=(miny+maxy)*0.5; centerz=(minz+maxz)*0.5; } double rangex=-minx+maxx, rangey=-miny+maxy, rangez=-minz+maxz; double ratiox=1,ratioy=1,ratioz=1; if (xwidth && rangex) { ratiox=xwidth/rangex; ratioy=ratiox; ratioz=ratiox; } if (yheight && rangey) { ratioy=yheight/rangey; if(!xwidth) ratiox=ratioy; ratioz=ratioy; } if (zdepth && rangez) { ratioz=zdepth/rangez; if(!xwidth) ratiox=ratioz; if(!yheight) ratioy=ratioz; } rangex *= ratiox; rangey *= ratioy; rangez *= ratioz; //center and resize the object for (i=0; i polySize*10) { fprintf(stderr, "Error: %li exceeded allocated polygon array[%li] in file %s (interoff/off_init)\n", faceSize, polySize*10, offfile); } faceArray[faceSize++] = nbVertex; // length of the polygon/face // then read the vertex ID's for (j=0; jvtxArray = vtxArray; data->normalArray= normalArray; data->DArray = DArray; data->faceArray = faceArray; data->vtxSize = vtxSize; data->polySize = polySize; data->faceSize = faceSize; data->filename = offfile; #ifdef OPENACC acc_attach((void *)&vtxArray); acc_attach((void *)&normalArray); acc_attach((void *)&faceArray); #endif return(polySize); } /* off_init */ #pragma acc routine int Min_int(int x, int y) { return (xintersects, pos, vel, acc, data->vtxArray, data->vtxSize, data->faceArray, data->faceSize, data->normalArray, data->DArray ); } else { /////////////////////////////////// // non-grav Coords A={x, y, z}; Coords B={x+vx, y+vy, z+vz}; t_size=off_clip_3D_mod(data->intersects, A, B, data->vtxArray, data->vtxSize, data->faceArray, data->faceSize, data->normalArray ); } #ifndef OPENACC qsort(data->intersects, t_size, sizeof(intersection), off_compare); #else #ifdef USE_OFF gpusort(data->intersects, t_size); #endif #endif off_cleanDouble(data->intersects, &t_size); off_cleanInOut(data->intersects, &t_size); /*find intersections "closest" to 0 (favouring positive ones)*/ if(t_size>0){ int i=0; if(t_size>1) { for (i=1; i < t_size-1; i++){ if (data->intersects[i-1].time > 0 && data->intersects[i].time > 0) break; } data->nextintersect=i-1; data->numintersect=t_size; if (t0) *t0 = data->intersects[i-1].time; if (n0) *n0 = data->intersects[i-1].normal; if (t3) *t3 = data->intersects[i].time; if (n3) *n3 = data->intersects[i].normal; } else { if (t0) *t0 = data->intersects[0].time; if (n0) *n0 = data->intersects[0].normal; } /* should also return t[0].index and t[i].index as polygon ID */ data->nextintersect=(data->intersects[data->nextintersect]).index; return t_size; } #else intersection intersect4[4]; intersect4[0].time=-FLT_MAX; intersect4[1].time=FLT_MAX; intersect4[2].time=FLT_MAX; intersect4[3].time=FLT_MAX; if(mcgravitation) { Coords pos={ x, y, z}; Coords vel={vx, vy, vz}; Coords acc={ax, ay, az}; t_size=off_clip_3D_mod_grav(intersect4, pos, vel, acc, data->vtxArray, data->vtxSize, data->faceArray, data->faceSize, data->normalArray, data->DArray); } else { /////////////////////////////////// // non-grav Coords A={x, y, z}; Coords B={x+vx, y+vy, z+vz}; t_size=off_clip_3D_mod(intersect4, A, B, data->vtxArray, data->vtxSize, data->faceArray, data->faceSize, data->normalArray ); } if(t_size>0){ int i=0; if (intersect4[0].time == -FLT_MAX) i=1; data->numintersect=t_size; if (t0) *t0 = intersect4[i].time; if (n0) *n0 = intersect4[i].normal; if (t3) *t3 = intersect4[i+1].time; if (n3) *n3 = intersect4[i+1].normal; if (intersect4[1].time == FLT_MAX) { if (t3) *t3 = 0.0; } /* should also return t[0].index and t[i].index as polygon ID */ data->nextintersect=(int)intersect4[i].index; return t_size; } #endif return 0; } /* off_intersect */ /******************************************************************************* * int off_intersect(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, off_struct data ) * ACTION: computes intersection of neutron trajectory with an object. * INPUT: x,y,z and vx,vy,vz are the position and velocity of the neutron * data points to the OFF data structure * RETURN: the number of polyhedral which trajectory intersects * t0 and t3 are the smallest incoming and outgoing intersection times * n0 and n3 are the corresponding normal vectors to the surface *******************************************************************************/ int off_intersect(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, double ax, double ay, double az, off_struct data ) { return off_intersect_all(t0, t3, n0, n3, x, y, z, vx, vy, vz, ax, ay, az, &data ); } /* off_intersect */ /***************************************************************************** * int off_x_intersect(double* l0, double* l3, Coords *n0, Coords *n3, double x, double y, double z, double kx, double ky, double kz, off_struct data ) * ACTION: computes intersection of an xray trajectory with an object. * INPUT: x,y,z and kx,ky,kz, are spatial coordinates and wavevector of the x-ray * respectively. data points to the OFF data structure. * RETURN: the number of polyhedral the trajectory intersects * l0 and l3 are the smallest incoming and outgoing intersection lengths * n0 and n3 are the corresponding normal vectors to the surface *******************************************************************************/ int off_x_intersect(double *l0,double *l3, Coords *n0, Coords *n3, double x, double y, double z, double kx, double ky, double kz, off_struct data ) { /*This function simply reformats and calls off_intersect (as for neutrons) *by normalizing the wavevector - this will yield the intersection lengths *in m*/ double jx,jy,jz,invk; int n; invk=1/sqrt(scalar_prod(kx,ky,kz,kx,ky,kz)); jx=kx*invk;jy=ky*invk;jz=kz*invk; n=off_intersect(l0,l3,n0,n3,x,y,z,jx,jy,jz,0.0,0.0,0.0,data); return n; } /******************************************************************************* * void off_display(off_struct data) * ACTION: display up to N_VERTEX_DISPLAYED polygons from the object *******************************************************************************/ void off_display(off_struct data) { if(mcdotrace==2){ // Estimate size of the JSON string const int VERTEX_OVERHEAD = 30; const int FACE_OVERHEAD_BASE = 20; const int FACE_INDEX_OVERHEAD = 15; int estimated_size = 256; // Base size estimated_size += data.vtxSize * VERTEX_OVERHEAD; for (int i = 0; i < data.faceSize;) { int num_indices = data.faceArray[i]; estimated_size += FACE_OVERHEAD_BASE + num_indices * FACE_INDEX_OVERHEAD; i += num_indices + 1; } char *json_string = malloc(estimated_size); if (json_string == NULL) { fprintf(stderr, "Memory allocation failed.\n"); return; } char *ptr = json_string; ptr += sprintf(ptr, "{ \"vertices\": ["); for (int i = 0; i < data.vtxSize; i++) { ptr += sprintf(ptr, "[%g, %g, %g]", data.vtxArray[i].x, data.vtxArray[i].y, data.vtxArray[i].z); if (i < data.vtxSize - 1) { ptr += sprintf(ptr, ", "); } } ptr += sprintf(ptr, "], \"faces\": ["); for (int i = 0; i < data.faceSize;) { int num = data.faceArray[i]; ptr += sprintf(ptr, "{ \"face\": ["); for (int j = 1; j <= num; j++) { ptr += sprintf(ptr, "%lu", data.faceArray[i + j]); if (j < num) { ptr += sprintf(ptr, ", "); } } ptr += sprintf(ptr, "]}"); i += num + 1; if(i 1 || drawthis) { mcdis_line(x1,y1,z1,x2,y2,z2); } x1 = x2; y1 = y2; z1 = z2; } if (ratio > 1 || drawthis) { mcdis_line(x1,y1,z1,x0,y0,z0); } if (data.mantidflag) { printf("MANTID_PIXEL: %s\n", pixelinfo); pixel++; } i += nbVertex; } } } /* off_display */ /* end of interoff-lib.c */ #endif // INTEROFF_LIB_C #ifndef SHAPES_T #define SHAPES_T enum shapes_t { NONE = -1, SPHERE, CYLINDER, CUBE, ELLIPSOID, ANY }; #endif /* Shared user declarations for all components types 'Bragg_crystal'. */ #ifndef MX_CRYSTALS_H #define MX_CRYSTALS_H #include enum {Mx_crystal_explicit=0, Mx_crystal_diamond, Mx_crystal_fcc,Mx_crystal_bcc}; /* make proper function declaration to be standards-compliant */ #pragma acc routine void Mx_CubicCrystalChi(double complex *chi0, double complex *chih, double *k0mag, double *hscale, double *thetaB, double f00, double f0h, double fp, double fpp, double V, int h, int k, int l, double debye_waller_B, double E, int crystal_type, double fscaler, double fscalei); #pragma acc routine int Mx_DiffractionDispersion(double complex kqvals[4], double complex xi0[4], double complex xih[4], const double k0[3], const double nhat[3], const double H[3], double complex chi0, double complex chih_chihbar, double C, int nroots); #pragma acc routine int Mx_DarwinReflectivityBC(double *Rsig, double *Rpi, double kh[3], const double k0hat[3], const double nhat[3], const double alpha[3], double complex chi0, double complex chih, double complex chihbar, double k0mag, double hscale, double thetaB); #pragma acc routine int Mx_LaueReflectivityBC(double *Rsig, double *Rpi, double *Tsig, double *Tpi, double *Asig, double *Api, // primary attenuation double kh[3], const double k0hat[3], const double nhat[3], const double alpha[3], double complex chi0, double complex chih, double complex chihbar, double k0mag, double hscale, double thetaB, double thickness); /*This is the old Darwin function*/ #pragma acc routine void Mx_DarwinReflectivity(double *R, double *Thetah, double *Theta0, double *DeltaTheta0, double f00, double f0h, double fp, double fpp, double V, double alpha, int h, int k, int l, double debye_waller_B, double E, double Thetain, int pol, int crystal_type, double fscaler, double fscalei); #pragma acc routine void cross(double res[3], const double v1[3], const double v2[3], int unitize); #define vdot(a,b) (a[0]*b[0]+a[1]*b[1]+a[2]*b[2]) #define vplus(res, a, b) { res[0]=a[0]+b[0]; res[1]=a[1]+b[1]; res[2]=a[2]+b[2]; } // solve a quadratic a x^2 + b x + c safely, a la Numerical Recipes. r1 always has the larger magnitude #define qsolve(r1, r2, a, b, c, sqrtfn) { \ if(creal(b) > 0) { r1=(-b-sqrtfn(b*b-4*a*c))/(2*a); } \ else { r1=(-b+sqrtfn(b*b-4*a*c))/(2*a); } \ r2=(c/a)/r1; } #endif /* MX_CRYSTALS_H SHARE section */ #ifndef MX_CRYSTALS_C #define MX_CRYSTALS_C void Mx_CubicCrystalChi(double complex *chi0, double complex *chih, double *k0mag, double *hscale, double *thetaB, double f00, double f0h, double fp, double fpp, double V, int h, int k, int l, double debye_waller_B, double E, int crystal_type, double fscaler, double fscalei) { double lambda, a, d; lambda = 2*PI/(E2K*E); /* wavelength in Å, E in keV, using built-in constants for safety */ a = cbrt(V); /* side length of unit cubic cell (Å)*/ d = a/sqrt(h*h + k*k + l*l); /* d-spacing (Å)*/ if (lambda>2*d){ /*cannot close scattering triangle, set all returns to 0 and exit*/ *thetaB=0; *k0mag=0; *hscale=0; *chi0=*chih=0; return; } *thetaB = asin(lambda/(2*d)); /* kinematical bragg angle (rad) */ *k0mag=2.0*M_PI/lambda; /* magnitude of k0 consistent with energy scale */ *hscale=2.0*M_PI/d; /* minus sign to make it point into the crystal */ /* structure factor rules from: https://en.wikipedia.org/wiki/Structure_factor section on diamond cubic crystals */ double complex fscaleh; double fscale0; switch(crystal_type) { case Mx_crystal_explicit: /* use explicitly provided structure factor scale factor */ break; case Mx_crystal_diamond: /* diamond lattice rules */ if (((h+k+l)%2) != 0){ /* (111) etc. odd sum eflection */ fscaleh=4+4*I; fscale0=8; } else if (((h+k+l)%4)==0){ /* (400) etc. h+k+l=4n reflection */ fscaleh=8; fscale0=8; } else { /* any other reflection is forbidden, will get a divide-by-zero somewhere, but user is responsible for only using allowed reflections */ fscaleh=0; fscale0=0; } break; case Mx_crystal_fcc: /* fcc lattice rules */ { int hpar=h%2, kpar=k%2, lpar=l%2; if ( hpar==kpar && kpar==lpar ) { /* all parities the same */ fscaleh=4; fscale0=4; } else { /* mixed parity forbidden */ fscaleh=0; fscale0=0; } } break; case Mx_crystal_bcc: /* bcc lattice rules */ if ( ((h+k+l)%2) == 0 ) { /* h+k+l even */ fscaleh=2; fscale0=2; } else { /* otherwise forbidden */ fscaleh=0; fscale0=0; } break; default: fscaleh=fscale0=0; /* fail later if unknown crystal type */ break; } double complex F0=fscale0*((f00+fp)+fpp*I); // NEVER CHECKED for crystals other than diamond structure double complex Fh=cabs(fscaleh)*((f0h+fp)+fpp*I); double GAMMA=RE*lambda*lambda/(PI*V); double M=debye_waller_B*SQR(sin(*thetaB)/lambda)*(2./3.); /* isotropic temperature factor */ *chi0 = -F0*GAMMA; *chih = -Fh*GAMMA*exp(-M); } int Mx_DarwinReflectivityBC(double *Rsig, double *Rpi, double kh[3], const double k0hat[3], const double nhat[3], const double alpha[3], double complex chi0, double complex chih, double complex chihbar, double k0mag, double hscale, double thetaB ) { double k0[3]={k0hat[0]*k0mag, k0hat[1]*k0mag, k0hat[2]*k0mag}; /* actual incoming k vector */ double H[3]={alpha[0]*hscale, alpha[1]*hscale, alpha[2]*hscale}; /* now we have to solve for the free-space kh vector outside the crystal. The requirement is that kh = Kh + q2 * nhat, and is pure real and has the same magnitude as k0. Thus, kh = k0 + q1 * nhat + H + q2 * nhat, |kh| = |k0|, and (q1 + q2) must be real to make kh real. if (q1 + q2) == q, q^2 + H^2 + 2 q (k0+H).nhat + 2 k0.H = 0 Note that this is independent of the messy dispersion relationship, and the same for both polarizations. */ double k0plusH[3]; vplus(k0plusH, k0, H); // temporary k0+H as needed in second poly term above double bb=2*vdot(k0plusH, nhat); double cc = vdot(H,H) +2*vdot(k0,H); double root1, root2; qsolve(root1, root2, 1., bb, cc, sqrt); //root2 is the small root vplus(kh, k0plusH, root2*nhat); for (int i=0; i<2; i++) { // do reflectivity using shared geometry for both polarizations double C=(i==0)?fabs(cos(2*thetaB)) : 1; // polarization factor double complex xi0; double K0[3], Kh[3]; double complex kqvals[4], xi0vals[4], xihvals[4]; int fail=Mx_DiffractionDispersion(kqvals, xi0vals, xihvals, k0, nhat, H, chi0, chih*chihbar, C, 1); // get first (interesting) root only double complex kq=kqvals[0]; xi0=xi0vals[0]; vplus(K0, k0, creal(kq)*nhat); vplus(Kh, K0, H); /* compute the asymmetry b which is the ratio of the sizes of the footprint of the beam on the crystal */ double b = (vdot(K0, nhat)/sqrt(vdot(K0,K0)))/(vdot(Kh, nhat)/sqrt(vdot(Kh, Kh))); if(fail) { *Rsig=0; *Rpi=0; return 1; } double complex eq24=2*xi0/(k0mag*C*chih); // B&C equation 24 double eratio=cabs(eq24); #ifdef MCDEBUG #ifndef OPENACC fprintf(stderr, "Bragg Geometry results: k0=(%.3f %.3f %.3f), kh=(%.3f %.3f %.3f) " "xi0 = (%.3e + %.3e i) " "b0=%.4f " "eq24 = (%.3e + %.3e i) " "R = %.3e " "\n", k0[0], k0[1], k0[2], kh[0], kh[1], kh[2], creal(xi0), cimag(xi0), b, creal(eq24), cimag(eq24), eratio*eratio/fabs(b)); #endif #endif if(i==0) *Rpi=eratio*eratio/fabs(b); // the fabs(b0) is the footprint correction else *Rsig=eratio*eratio/fabs(b); } return 0; } void cross(double res[3], const double v1[3], const double v2[3], int unitize) { // use our own cross product which takes arrays directly to reduce pointer shuffling res[0]=v1[1]*v2[2]-v1[2]*v2[1]; res[1]=v1[2]*v2[0]-v1[0]*v2[2]; res[2]=v1[0]*v2[1]-v1[1]*v2[0]; if(unitize) { double l=sqrt(res[0]*res[0]+res[1]*res[1]+res[2]*res[2]); res[0]/=l; res[1]/=l; res[2]/=l; } } int Mx_DiffractionDispersion(double complex kqvals[4], double complex xi0[4], double complex xih[4], const double k0[3], const double nhat[3], const double H[3], double complex chi0, double complex chih_chihbar, double C, int nroots){ /* compute the Batterman & Cole eq. 17 dispersion relation, and associated quantities. nroots sets how many roots to find. They are sorted, with the first root being the attenuated incoming ray, then the amplified incoming ray, then the two 'big roots'. Normally only nroots=1 is interesting for Bragg diffraction. */ double k0mag=sqrt(vdot(k0,k0)); /* B&C equation 17 is ( |k0 + kq nhat|^2 - k0^2(1+chi0) ) ( |k0 + kq nhat + H|^2 - k0^2(1+chi0) ) = k^4 C^2 chih chihbar */ double k0plusH[3]; vplus(k0plusH, k0, H); // temporary k0+H as needed in second poly term above double complex poly1[3], poly2[3], poly[5], deriv[4]; poly1[2]=1; poly1[1]=2*vdot(k0,nhat); poly1[0]=-k0mag*k0mag*chi0; poly2[2]=1.; poly2[1]=2*vdot(k0plusH,nhat); poly2[0]=-k0mag*k0mag*chi0+vdot(H,H)+2*vdot(k0,H); /* for multiplying these polys, just write it out explicitly */ poly[0]=poly1[0]*poly2[0]; poly[1]=poly1[0]*poly2[1]+poly1[1]*poly2[0]; poly[2]=poly1[0]*poly2[2]+poly1[1]*poly2[1]+poly1[2]*poly2[0]; poly[3]=poly1[1]*poly2[2]+poly1[2]*poly2[1]; poly[4]=poly1[2]*poly2[2]; double complex epsilon=(k0mag*k0mag*k0mag*k0mag*C*C)*chih_chihbar; // right-hand side of dispersion poly[0]-=epsilon; deriv[3]=4*poly[4]; deriv[2]=3*poly[3]; deriv[1]=2*poly[2]; deriv[0]=1*poly[1]; /* the dispersion polynomial is p1*p2-epsilon = 0; first, find big roots and factor out to leave only a quadratic with small (interesting) roots */ /* big roots will be _close_ to big roots of p1 and p2, use these as guesses */ double complex p1b, p1s, p2b, p2s; // p1b and p2b are always larger root in magnitude qsolve(p1b, p1s, poly1[2], poly1[1], poly1[0], csqrt); qsolve(p2b, p2s, poly2[2], poly2[1], poly2[0], csqrt); /* now, (x-p1b)(x-p2b)(x-p1s)(x-p2s)-epsilon is the full poly, but near the interesting region around p1s, p2s, flatten first two terms */ /* so x0 = (p1s+p2s)*0.5, this is (x-p1s)(x-p2s)-epsilon/((x0-p1b)(x0-p2b)) = 0 to get approximate roots of full poly */ double complex x0=(p1s+p2s)*0.5; double complex fp[3] = {p1s*p2s-epsilon/((x0-p1b)*(x0-p2b)), -(p1s+p2s), 1.0 }; // factored poly roots, should be very close to exact roots // practical note: looking at convergence, these roots are so close, one could probably drop the Newton's method refinement // completely. However, since this code is intended to be pedantically correct, I will do the refinement. double complex initroots[4]; qsolve(initroots[0], initroots[1], fp[2], fp[1], fp[0], csqrt); // solution to factored polynomial is starting point for newton's method int rootloops, fail=0; // make sure the first root has im(k).re(k) < 0 so beam is attenuated. Since re(k) is nearly k0 and im(k) is im(kq)*nhat, // we need k0.nhat * im(k) < 0 double kdotnhat=vdot(k0, nhat); if(cimag(initroots[0])*kdotnhat > 0) { if(cimag(initroots[1])*kdotnhat < 0) { double complex swap; swap=initroots[0]; initroots[0]=initroots[1]; initroots[1]=swap; } else { // neither root has im(k) < 0, no physically possible solution. Should never happen. #ifndef OPENACC fprintf(stderr, "PerfectCrystal: No attenuating solution for incoming vector found, r1=(%.3e + %.3e i) r2=(%.3e + %.3e i) \n", creal(initroots[0]), cimag(initroots[0]), creal(initroots[1]), cimag(initroots[1])); #endif return -1; } } initroots[2]=p1b; initroots[3]=p2b; // the two big roots are last in the list for(rootloops=0; rootloops < nroots; rootloops++) { double complex dd, kq, pv, dv; kq=initroots[rootloops]; #if MCDEBUG #ifndef OPENACC fprintf(stderr,"Batterman Cole dispersion Newton Iterations, starting at root =(%.3e + %.3e i) \n", creal(kq), cimag(kq) ); #endif #endif int stepcount=0; do { pv=(((poly[4]*kq+poly[3])*kq+poly[2])*kq+poly[1])*kq+poly[0]; // poly value dv=((deriv[3]*kq+deriv[2])*kq+deriv[1])*kq+deriv[0]; // derivative value dd=-pv/dv; // Newton's method step kq+=dd; stepcount++; #ifdef MCDEBUG_EXTRA #ifndef OPENACC fprintf(stderr,"Batterman Cole dispersion Newton Iterations, starting at root =(%.3e + %.3e i) \n", fprintf(stderr,"Batterman Cole dispersion Newton Iterations, step count=%d, pv=%.3e dv=%.3e " "kq=(%.3e + %.3e I) shift=%.3e\n", stepcount, cabs(pv), cabs(dv), creal(kq), cimag(kq), cabs(dd) ); #endif #endif } while ( ((cabs(dd) > 1e-15) && (stepcount < 20)) ); kqvals[rootloops]=kq; fail= (stepcount == 20); if(fail) { // should never happen. always converges in about 3 steps! #ifndef OPENACC fprintf(stderr,"****Newton's method convergence failure in Bragg_Geometry, killing particle!\n"); #endif kq=initroots[rootloops]; // leave offset plausible, close to quadratic start } // batterman and cole eq. 18, exact definitions of xi0 and xih // but adjust for numerical stability. // The smaller of xi0, xih depends on delicate cancellation of the polynomial. The larger doesn't. // Thus, replace the small polynomial with epsilon / (large one) // This is equivalent to the Numerical Recipes trick for stable computation of quadratic roots double complex poly1v=(poly1[2]*kq+poly1[1])*kq+poly1[0]; double complex poly2v=(poly2[2]*kq+poly2[1])*kq+poly2[0]; if( fabs(creal(poly1v)) < fabs(creal(poly2v)) ) { poly1v=epsilon/poly2v; } else { poly2v=epsilon/poly1v; } xi0[rootloops]=poly1v/(2*k0mag); xih[rootloops]=poly2v/(2*k0mag); } return fail; } int Mx_LaueReflectivityBC(double *Rsig, double *Rpi, double *Tsig, double *Tpi, double *Asig, double *Api, // primary attenuation double kh[3], const double k0hat[3], const double nhat[3], const double alpha[3], double complex chi0, double complex chih, double complex chihbar, double k0mag, double hscale, double thetaB, double thickness) { double k0[3]={k0hat[0]*k0mag, k0hat[1]*k0mag, k0hat[2]*k0mag}; /* actual incoming k vector */ double H[3]={alpha[0]*hscale, alpha[1]*hscale, alpha[2]*hscale}; /* a bunch of precomputed dot products we will use over and over.*/ double k0dotnhat=vdot(k0,nhat); double Hdotnhat=vdot(H, nhat); double k0dotH=vdot(k0,H); double HdotH=vdot(H,H); /* now we have to solve for the free-space kh vector outside the crystal. The requirement is that kh = Kh + e * nhat, and is pure real and has the same magnitude as k0. Thus, kh = k0 + kq*nhat + H + e*nhat, |kh| = |k0|, and kq+e must be real to make kh real. if kq+e == q, q^2 + H^2 + 2 q (k0+H).nhat + 2 k0.H = 0 Note that this is independent of the messy dispersion relationship, and the same for both polarizations. */ double k0plusH[3]; vplus(k0plusH, k0, H); double bb=2*(k0dotnhat+Hdotnhat); double cc = HdotH +2*k0dotH; double root1, root2; qsolve(root1, root2, 1., bb, cc, sqrt); //root2 is the small root vplus(kh, k0plusH, root2*nhat); for (int i=0; i<2; i++) { // do reflectivity using shared geometry for both polarizations double C=(i==0)?fabs(cos(2*thetaB)) : 1; // polarization factor double complex kqvals[4], xi0vals[4], xihvals[4]; int fail=Mx_DiffractionDispersion(kqvals, xi0vals, xihvals, k0, nhat, H, chi0, chih*chihbar, C, 2); // get first 2 (alpha and beta) roots only double complex a1=2*xi0vals[0]/(k0mag*C*chih); // complex Eha/E0a from B&C eq. 24 double complex a2=2*xi0vals[1]/(k0mag*C*chih); // complex Ehb/E0a from B&C eq. 24 // compute amplitudes from solving B&C eqns. 40 double complex i1=a2/(a2-a1); // e0a/e0i double complex i2=-a1/(a2-a1); // e0a/e0i double complex ix=-thickness*1e10*I; // convert thickness to angstroms for absorption // factor out main K vector and difference explicitly, // so that dphi, the relative phase & amplitude of the alpha and beta // rays can be calculated to high accuracy // note: K0=k0 + r nhat, so K0.nhat = k0.nhat + r // similarly for Kh=k0 + H + r nhat so Kh.nhat = k0.nhat + H.nhat + r // we don't actually use the main phase (yet), so only compute real part // of transport exponentials // double complex phi0t=cexp((k0dotnhat+kqvals[0])*ix) #alpha transmitted wave factor // double complex phi0r=cexp((k0dotnhat+Hdotnhat+kqvals[0])*ix) #alpha reflected factor double phi0t=exp(creal((k0dotnhat+kqvals[0])*ix)); // alpha transmitted wave factor double phi0r=exp(creal((k0dotnhat+Hdotnhat+kqvals[0])*ix)); // alpha reflected factor double complex dphi=cexp((kqvals[1]-kqvals[0])*ix); // beta-alpha transmission ratio double complex t0zz=phi0t*(i1+i2*dphi); // transmitted complex field amplitude at exit double complex thzz=phi0r*(a1*i1+a2*i2*dphi); // reflected complex field amplitude at exit #ifdef MCDEBUG #ifndef OPENACC fprintf(stderr, "LAUE: " " k0 = (%.3f %.3f %.3f) thickness=%.3e" " a1=(%.3f + %.3fj) " " a2=(%.3f + %.3fj) " " i1=(%.3f + %.3fj) " " i2=(%.3f + %.3fj) " " phi0t = %.3e phi0r = %.3e " " dphi=(%.3f + %.3fj) " " t0zz=(%.3f + %.3fj) " " thzz=(%.3f + %.3fj) " " \n", k0[0], k0[1], k0[2], thickness, creal(a1), cimag(a1), creal(a2), cimag(a2), creal(i1), cimag(i1), creal(i2), cimag(i2), phi0t, phi0r, creal(dphi), cimag(dphi), creal(t0zz), cimag(t0zz), creal(thzz), cimag(thzz) ); #endif #endif /* compute the asymmetry b which is the ratio of the sizes of the footprint of the beam on the crystal. Assume it is the same for alpha and beta branches! */ double K0[3], Kh[3]; vplus(K0, k0, creal(kqvals[0])*nhat); vplus(Kh, K0, H); double b = (vdot(K0, nhat)/sqrt(vdot(K0,K0)))/(vdot(Kh, nhat)/sqrt(vdot(Kh, Kh))); double R=cabs(thzz*thzz)/fabs(b); // the fabs(b) is the footprint correction double T=cabs(t0zz*t0zz)/fabs(b); if(i==0) { *Rpi= R; *Tpi= T; *Api=phi0t*phi0t; } else { *Rsig=R; *Tsig=T; *Asig=phi0t*phi0t; } } return 0; } /*This is the old Darwin function*/ void Mx_DarwinReflectivity(double *R, double *Thetah, double *Theta0, double *DeltaTheta0, double f00, double f0h, double fp, double fpp, double V, double alpha, int h, int k, int l, double debye_waller_B, double E, double Thetain, int pol, int crystal_type, double fscaler, double fscalei ) { double lambda,theta,theta0,DeltaThetas,a,d,b,C,W,kappa,g,L; double F0r,F0i,Fhr,Fhi,psi0r,psi0i,psihr,psihi; lambda = 2*PI/(E2K*E); /* wavelength in Å, E in keV, using built-in constants for safety */ a = cbrt(V); /* side length of unit cubic cell (Å)*/ d = a/sqrt(h*h + k*k + l*l); /* d-spacing (Å)*/ theta = asin(lambda/(2*d)); /* kinematical bragg angle (rad) */ b = sin(theta + alpha)/sin(theta - alpha); /* asymmetry factor */ *Theta0 = Thetain - alpha; /* (rad) angle between Bragg planes and incident ray */ *Thetah = b*(*Theta0 - theta) + theta; /* (rad) Angle betweeb Bragg planes and reflected ray */ /*check if Bragg angle is less than alpha. If so return 0 reflectivity*/ if (theta /* Shared user declarations for all components types 'Monitor_nD'. */ /******************************************************************************* * * McXtrace, x-ray-tracing package * Copyright 1997-2013, All rights reserved * DTU Physics, Kgs. Lyngby, Denmark * Institut Laue Langevin, Grenoble, France * * Library: share/monitor_nd-lib.h * * %Identification * Written by: EF * Date: Aug 28, 2002 * Origin: ILL * Release: McXtrace 0.9 * Version: $Revision$ * * This file is to be imported by the monitor_nd related components * It handles some shared functions. * * Usage: within SHARE * %include "monitor_nd-lib" * *******************************************************************************/ #ifndef MONITOR_ND_LIB_H #define MONITOR_ND_LIB_H "$Revision$" #define MONnD_COORD_NMAX 30 /* max number of variables to record */ typedef struct MonitornD_Defines { int COORD_NONE ; int COORD_X ; int COORD_Y ; int COORD_Z ; int COORD_RADIUS; int COORD_VX ; int COORD_VY ; int COORD_VZ ; int COORD_V ; int COORD_T ; int COORD_P ; int COORD_EX ; int COORD_EY ; int COORD_EZ ; int COORD_KX ; int COORD_KY ; int COORD_KZ ; int COORD_K ; int COORD_ENERGY; int COORD_LAMBDA; int COORD_KXY ; int COORD_KYZ ; int COORD_KXZ ; int COORD_VXY ; int COORD_VYZ ; int COORD_VXZ ; int COORD_HDIV ; int COORD_VDIV ; int COORD_ANGLE ; int COORD_NCOUNT; int COORD_THETA ; int COORD_PHI ; int COORD_USER1 ; int COORD_USER2 ; int COORD_USER3 ; int COORD_XY ; int COORD_XZ ; int COORD_YZ ; int COORD_PHASE ; int COORD_PIXELID; /* token modifiers */ int COORD_VAR ; /* next token should be a variable or normal option */ int COORD_MIN ; /* next token is a min value */ int COORD_MAX ; /* next token is a max value */ int COORD_DIM ; /* next token is a bin value */ int COORD_FIL ; /* next token is a filename */ int COORD_EVNT ; /* next token is a buffer size value */ //int COORD_3HE ; /* next token is a 3He pressure value */ int COORD_LOG ; /* next variable will be in log scale */ int COORD_ABS ; /* next variable will be in abs scale */ int COORD_SIGNAL; /* next variable will be the signal var */ int COORD_AUTO ; /* set auto limits */ char TOKEN_DEL[32]; /* token separators */ char SHAPE_SQUARE; /* shape of the monitor */ char SHAPE_DISK ; char SHAPE_SPHERE; char SHAPE_CYLIND; char SHAPE_BANANA; /* cylinder without top/bottom, on restricted angular area */ char SHAPE_BOX ; char SHAPE_PREVIOUS; char SHAPE_OFF; } MonitornD_Defines_type; typedef struct MonitornD_Variables { double area; double Sphere_Radius ; double Cylinder_Height ; char Flag_With_Borders ; /* 2 means xy borders too */ char Flag_List ; /* 1 store 1 buffer, 2 is list all, 3 list all+append */ char Flag_Multiple ; /* 1 when n1D, 0 for 2D */ char Flag_Verbose ; int Flag_Shape ; char Flag_Auto_Limits ; /* get limits from first Buffer */ char Flag_Absorb ; /* monitor is also a slit */ char Flag_per_cm2 ; /* flux is per cm2 */ char Flag_log ; /* log10 of the flux */ char Flag_parallel ; /* set photon state back after detection (parallel components) */ char Flag_Binary_List ; char Flag_capture ; /* lambda monitor with lambda/lambda(2200m/s = 1.7985 Angs) weightening */ int Flag_signal ; /* 0:monitor p, else monitor a mean value */ int Flag_OFF ; /* Flag to indicate external geometry from OFF file */ unsigned long OFF_polyidx; /* When intersection is done externally by off_intersect, this gives the polygon number, i.e. pixel index */ unsigned long Coord_Number ; /* total number of variables to monitor, plus intensity (0) */ unsigned long Coord_NumberNoPixel; /* same but without counting PixelID */ unsigned long Buffer_Block ; /* Buffer size for list or auto limits */ unsigned long Photon_Counter ; /* event counter, simulation total counts is mcget_ncount() */ unsigned long Buffer_Counter ; /* index in Buffer size (for realloc) */ unsigned long Buffer_Size ; int Coord_Type[MONnD_COORD_NMAX]; /* type of variable */ char Coord_Label[MONnD_COORD_NMAX][30]; /* label of variable */ char Coord_Var[MONnD_COORD_NMAX][30]; /* short id of variable */ long Coord_Bin[MONnD_COORD_NMAX]; /* bins of variable array */ long Coord_BinProd[MONnD_COORD_NMAX]; /* product of bins of variable array */ double Coord_Min[MONnD_COORD_NMAX]; double Coord_Max[MONnD_COORD_NMAX]; char Monitor_Label[MONnD_COORD_NMAX*30];/* Label for monitor */ char Mon_File[128]; /* output file name */ /* these don't seem to be used anymore as they are superseded by _particle double cx, cy, cz; double cvx, cvy, cvz; double ckx, cky, ckz; double cEx, cEy, cEz; double ct, cphi, cp;*/ double He3_pressure; char Flag_UsePreMonitor ; /* use a previously stored photon parameter set */ char UserName1[128]; char UserName2[128]; char UserName3[128]; char UserVariable1[128]; char UserVariable2[128]; char UserVariable3[128]; char option[CHAR_BUF_LENGTH]; long long int Nsum; double psum, p2sum; double **Mon2D_N; double **Mon2D_p; double **Mon2D_p2; double *Mon2D_Buffer; unsigned long PixelID; double mxmin,mxmax,mymin,mymax,mzmin,mzmax; double mean_dx, mean_dy, min_x, min_y, max_x, max_y, mean_p; char compcurname[128]; Coords compcurpos; Rotation compcurrot; int compcurindex; } MonitornD_Variables_type; /* monitor_nd-lib function prototypes */ /* ========================================================================= */ void Monitor_nD_Init(MonitornD_Defines_type *, MonitornD_Variables_type *, MCNUM, MCNUM, MCNUM, MCNUM, MCNUM, MCNUM, MCNUM, MCNUM, MCNUM, int); #pragma acc routine int Monitor_nD_Trace(MonitornD_Defines_type *, MonitornD_Variables_type *, _class_particle* _particle); MCDETECTOR Monitor_nD_Save(MonitornD_Defines_type *, MonitornD_Variables_type *); void Monitor_nD_Finally(MonitornD_Defines_type *, MonitornD_Variables_type *); void Monitor_nD_McDisplay(MonitornD_Defines_type *, MonitornD_Variables_type *); #endif /* end of monitor_nd-lib.h */ /******************************************************************************* * * McXtrace, x-ray-tracing package * Copyright 1997-2013, All rights reserved * DTU Physics, Kgs. Lyngby, Denmark * Institut Laue Langevin, Grenoble, France * * Library: share/monitor_nd-lib.c * * %Identification * Written by: EF * Date: Aug 28, 2002 * Origin: ILL * Release: McXtrace 0.9 * Version: $Revision$ * * This file is to be imported by the monitor_nd related components * It handles some shared functions. Embedded within instrument in runtime mode. * * Usage: within SHARE * %include "monitor_nd-lib" * *******************************************************************************/ #ifndef MONITOR_ND_LIB_H #error McXtrace : please import this library with %include "monitor_nd-lib" #endif /* ========================================================================= */ /* Monitor_nD_Init: this routine is used to parse options */ /* ========================================================================= */ void Monitor_nD_Init(MonitornD_Defines_type *DEFS, MonitornD_Variables_type *Vars, MCNUM xwidth, MCNUM yheight, MCNUM zdepth, MCNUM xmin, MCNUM xmax, MCNUM ymin, MCNUM ymax, MCNUM zmin, MCNUM zmax, int offflag) { long carg = 1; char *option_copy, *token; char Flag_New_token = 1; char Flag_End = 1; char Flag_All = 0; char Flag_No = 0; char Flag_abs = 0; int Flag_auto = 0; /* -1: all, 1: the current variable */ int Set_Vars_Coord_Type; char Set_Vars_Coord_Label[64]; char Set_Vars_Coord_Var[64]; char Short_Label[MONnD_COORD_NMAX][64]; int Set_Coord_Mode; long i=0, j=0; double lmin, lmax, XY=0; long t; t = (long)time(NULL); /* initialize DEFS */ /* Variables to monitor */ DEFS->COORD_NONE =0; DEFS->COORD_X =1; DEFS->COORD_Y =2; DEFS->COORD_Z =3; DEFS->COORD_RADIUS =19; DEFS->COORD_VX =4; DEFS->COORD_VY =5; DEFS->COORD_VZ =6; DEFS->COORD_V =16; DEFS->COORD_PHASE =39; DEFS->COORD_T =7; DEFS->COORD_P =8; DEFS->COORD_EX =9; DEFS->COORD_EY =10; DEFS->COORD_EZ =11; DEFS->COORD_KX =12; DEFS->COORD_KY =13; DEFS->COORD_KZ =14; DEFS->COORD_K =15; DEFS->COORD_ENERGY =17; DEFS->COORD_LAMBDA =18; DEFS->COORD_HDIV =20; DEFS->COORD_VDIV =21; DEFS->COORD_ANGLE =22; DEFS->COORD_NCOUNT =23; DEFS->COORD_THETA =24; DEFS->COORD_PHI =25; DEFS->COORD_USER1 =26; DEFS->COORD_USER2 =27; DEFS->COORD_USER3 =28; DEFS->COORD_XY =37; DEFS->COORD_YZ =31; DEFS->COORD_XZ =32; DEFS->COORD_VXY =30; DEFS->COORD_VYZ =34; DEFS->COORD_VXZ =36; DEFS->COORD_KXY =29; DEFS->COORD_KYZ =33; DEFS->COORD_KXZ =35; DEFS->COORD_PIXELID=38; /* token modifiers */ DEFS->COORD_VAR =0; /* next token should be a variable or normal option */ DEFS->COORD_MIN =1; /* next token is a min value */ DEFS->COORD_MAX =2; /* next token is a max value */ DEFS->COORD_DIM =3; /* next token is a bin value */ DEFS->COORD_FIL =4; /* next token is a filename */ DEFS->COORD_EVNT =5; /* next token is a buffer size value */ //DEFS->COORD_3HE =6; /* next token is a 3He pressure value */ DEFS->COORD_LOG =64; /* next variable will be in log scale */ DEFS->COORD_ABS =128; /* next variable will be in abs scale */ DEFS->COORD_SIGNAL =256; /* next variable will be the signal var */ DEFS->COORD_AUTO =512; /* set auto limits */ strcpy(DEFS->TOKEN_DEL, " =,;[](){}:"); /* token separators */ DEFS->SHAPE_SQUARE =0; /* shape of the monitor */ DEFS->SHAPE_DISK =1; DEFS->SHAPE_SPHERE =2; DEFS->SHAPE_CYLIND =3; DEFS->SHAPE_BANANA =4; DEFS->SHAPE_BOX =5; DEFS->SHAPE_PREVIOUS=6; DEFS->SHAPE_OFF=7; Vars->Sphere_Radius = 0; Vars->Cylinder_Height = 0; Vars->Flag_With_Borders = 0; /* 2 means xy borders too */ Vars->Flag_List = 0; /* 1=store 1 buffer, 2=list all, 3=re-use buffer */ Vars->Flag_Multiple = 0; /* 1 when n1D, 0 for 2D */ Vars->Flag_Verbose = 0; Vars->Flag_Shape = DEFS->SHAPE_SQUARE; Vars->Flag_Auto_Limits = 0; /* get limits from first Buffer */ Vars->Flag_Absorb = 0; /* monitor is also a slit */ Vars->Flag_per_cm2 = 0; /* flux is per cm2 */ Vars->Flag_log = 0; /* log10 of the flux */ Vars->Flag_parallel = 0; /* set photon state back after detection (parallel components) */ Vars->Flag_Binary_List = 0; /* save list as a binary file (smaller) */ Vars->Coord_Number = 0; /* total number of variables to monitor, plus intensity (0) */ Vars->Coord_NumberNoPixel=0; /* same but without counting PixelID */ Vars->Buffer_Block = MONND_BUFSIZ; /* Buffer size for list or auto limits */ Vars->Photon_Counter = 0; /* event counter, simulation total counts is mcget_ncount() */ Vars->Buffer_Counter = 0; /* index in Buffer size (for realloc) */ Vars->Buffer_Size = 0; Vars->He3_pressure = 0; Vars->Flag_capture = 0; Vars->Flag_signal = DEFS->COORD_P; Vars->Flag_OFF = offflag; Vars->OFF_polyidx = -1; Vars->mean_dx=Vars->mean_dy=0; Vars->min_x = Vars->max_x =0; Vars->min_y = Vars->max_y =0; Set_Vars_Coord_Type = DEFS->COORD_NONE; Set_Coord_Mode = DEFS->COORD_VAR; /* handle size parameters */ /* normal use is with xwidth, yheight, zdepth */ /* if xmin,xmax,ymin,ymax,zmin,zmax are non 0, use them */ if (fabs(xmin-xmax) == 0) { Vars->mxmin = -fabs(xwidth)/2; Vars->mxmax = fabs(xwidth)/2; } else { if (xmin < xmax) {Vars->mxmin = xmin; Vars->mxmax = xmax;} else {Vars->mxmin = xmax; Vars->mxmax = xmin;} } if (fabs(ymin-ymax) == 0) { Vars->mymin = -fabs(yheight)/2; Vars->mymax = fabs(yheight)/2; } else { if (ymin < ymax) {Vars->mymin = ymin; Vars->mymax = ymax;} else {Vars->mymin = ymax; Vars->mymax = ymin;} } if (fabs(zmin-zmax) == 0) { Vars->mzmin = -fabs(zdepth)/2; Vars->mzmax = fabs(zdepth)/2; } else { if (zmin < zmax) {Vars->mzmin = zmin; Vars->mzmax = zmax; } else {Vars->mzmin = zmax; Vars->mzmax = zmin; } } if (fabs(Vars->mzmax-Vars->mzmin) == 0) Vars->Flag_Shape = DEFS->SHAPE_SQUARE; else Vars->Flag_Shape = DEFS->SHAPE_BOX; if (Vars->Flag_OFF) { Vars->Flag_Shape = DEFS->SHAPE_OFF; } /* parse option string */ option_copy = (char*)malloc(strlen(Vars->option)+1); if (option_copy == NULL) { fprintf(stderr,"Monitor_nD: %s cannot allocate 'options' copy (%li). Fatal.\n", Vars->compcurname, (long)strlen(Vars->option)); exit(-1); } if (strlen(Vars->option)) { Flag_End = 0; strcpy(option_copy, Vars->option); } if (strstr(Vars->option, "cm2") || strstr(Vars->option, "cm^2")) Vars->Flag_per_cm2 = 1; if (strstr(Vars->option, "binary") || strstr(Vars->option, "float")) Vars->Flag_Binary_List = 1; if (strstr(Vars->option, "double")) Vars->Flag_Binary_List = 2; strcpy(Vars->Coord_Label[0], "Intensity"); strncpy(Vars->Coord_Var[0], "p", 30); Vars->Coord_Type[0] = DEFS->COORD_P; Vars->Coord_Bin[0] = 1; Vars->Coord_Min[0] = 0; Vars->Coord_Max[0] = FLT_MAX; /* default file name is comp_name+dateID */ sprintf(Vars->Mon_File, "%s_%li", Vars->compcurname, t); carg = 1; while((Flag_End == 0) && (carg < 128)) { if (Flag_New_token) /* retain previous token or get a new one */ { if (carg == 1) token=(char *)strtok(option_copy,DEFS->TOKEN_DEL); else token=(char *)strtok(NULL,DEFS->TOKEN_DEL); if (token == NULL) Flag_End=1; } Flag_New_token = 1; if ((token != NULL) && (strlen(token) != 0)) { char iskeyword=0; /* left at 0 when variables are processed, 1 for modifiers */ int old_Mode; /* change token to lower case */ for (i=0; iCOORD_MAX) /* max=%i */ { if (!Flag_All) Vars->Coord_Max[Vars->Coord_Number] = atof(token); else for (i = 0; i <= Vars->Coord_Number; Vars->Coord_Max[i++] = atof(token)); Set_Coord_Mode = DEFS->COORD_VAR; Flag_All = 0; } if (Set_Coord_Mode == DEFS->COORD_MIN) /* min=%i */ { if (!Flag_All) Vars->Coord_Min[Vars->Coord_Number] = atof(token); else for (i = 0; i <= Vars->Coord_Number; Vars->Coord_Min[i++] = atof(token)); Set_Coord_Mode = DEFS->COORD_MAX; } if (Set_Coord_Mode == DEFS->COORD_DIM) /* bins=%i */ { if (!Flag_All) Vars->Coord_Bin[Vars->Coord_Number] = atoi(token); else for (i = 0; i <= Vars->Coord_Number; Vars->Coord_Bin[i++] = atoi(token)); Set_Coord_Mode = DEFS->COORD_VAR; Flag_All = 0; } if (Set_Coord_Mode == DEFS->COORD_FIL) /* file=%s */ { if (!Flag_No) strncpy(Vars->Mon_File,token,128); else { strcpy(Vars->Mon_File,""); Vars->Coord_Number = 0; Flag_End = 1;} Set_Coord_Mode = DEFS->COORD_VAR; } if (Set_Coord_Mode == DEFS->COORD_EVNT) /* list=%i */ { if (!strcmp(token, "all") || Flag_All) Vars->Flag_List = 2; else { i = (long)ceil(atof(token)); if (i) Vars->Buffer_Block = i; Vars->Flag_List = 1; } Set_Coord_Mode = DEFS->COORD_VAR; Flag_All = 0; } /*if (Set_Coord_Mode == DEFS->COORD_3HE)*/ /* pressure=%g */ /*{*/ /* Vars->He3_pressure = atof(token);*/ /* Set_Coord_Mode = DEFS->COORD_VAR; Flag_All = 0;*/ /*}*/ /* now look for general option keywords */ if (!strcmp(token, "borders")) {Vars->Flag_With_Borders = 1; iskeyword=1; } if (!strcmp(token, "verbose")) {Vars->Flag_Verbose = 1; iskeyword=1; } if (!strcmp(token, "log")) {Vars->Flag_log = 1; iskeyword=1; } if (!strcmp(token, "abs")) {Flag_abs = 1; iskeyword=1; } if (!strcmp(token, "multiple")) {Vars->Flag_Multiple = 1; iskeyword=1; } if (!strcmp(token, "list") || !strcmp(token, "events")) { Vars->Flag_List = 1; Set_Coord_Mode = DEFS->COORD_EVNT; } if (!strcmp(token, "limits") || !strcmp(token, "min")) Set_Coord_Mode = DEFS->COORD_MIN; if (!strcmp(token, "slit") || !strcmp(token, "absorb")) { Vars->Flag_Absorb = 1; iskeyword=1; } if (!strcmp(token, "max")) Set_Coord_Mode = DEFS->COORD_MAX; if (!strcmp(token, "bins") || !strcmp(token, "dim")) Set_Coord_Mode = DEFS->COORD_DIM; if (!strcmp(token, "file") || !strcmp(token, "filename")) { Set_Coord_Mode = DEFS->COORD_FIL; if (Flag_No) { strcpy(Vars->Mon_File,""); Vars->Coord_Number = 0; Flag_End = 1; } } if (!strcmp(token, "inactivate")) { Flag_End = 1; Vars->Coord_Number = 0; iskeyword=1; } if (!strcmp(token, "all")) { Flag_All = 1; iskeyword=1; } if (!strcmp(token, "sphere")) { Vars->Flag_Shape = DEFS->SHAPE_SPHERE; iskeyword=1; } if (!strcmp(token, "cylinder")) { Vars->Flag_Shape = DEFS->SHAPE_CYLIND; iskeyword=1; } if (!strcmp(token, "banana")) { Vars->Flag_Shape = DEFS->SHAPE_BANANA; iskeyword=1; } if (!strcmp(token, "square")) { Vars->Flag_Shape = DEFS->SHAPE_SQUARE; iskeyword=1; } if (!strcmp(token, "disk")) { Vars->Flag_Shape = DEFS->SHAPE_DISK; iskeyword=1; } if (!strcmp(token, "box")) { Vars->Flag_Shape = DEFS->SHAPE_BOX; iskeyword=1; } if (!strcmp(token, "previous")) { Vars->Flag_Shape = DEFS->SHAPE_PREVIOUS; iskeyword=1; } if (!strcmp(token, "parallel")){ Vars->Flag_parallel = 1; iskeyword=1; } if (!strcmp(token, "capture")) { Vars->Flag_capture = 1; iskeyword=1; } if (!strcmp(token, "auto")) { #ifndef OPENACC if (Flag_auto != -1) { Vars->Flag_Auto_Limits = 1; if (Flag_All) Flag_auto = -1; else Flag_auto = 1; iskeyword=1; Flag_All=0; } #endif } if (!strcmp(token, "premonitor")) { Vars->Flag_UsePreMonitor = 1; iskeyword=1; } if (!strcmp(token, "3He_pressure") || !strcmp(token, "pressure")) { Vars->He3_pressure = 3; iskeyword=1; } if (!strcmp(token, "no") || !strcmp(token, "not")) { Flag_No = 1; iskeyword=1; } if (!strcmp(token, "signal")) Set_Coord_Mode = DEFS->COORD_SIGNAL; /* Mode has changed: this was a keyword or value ? */ if (Set_Coord_Mode != old_Mode) iskeyword=1; /* now look for variable names to monitor */ Set_Vars_Coord_Type = DEFS->COORD_NONE; lmin = 0; lmax = 0; if (!strcmp(token, "x")) { Set_Vars_Coord_Type = DEFS->COORD_X; strcpy(Set_Vars_Coord_Label,"x [m]"); strcpy(Set_Vars_Coord_Var,"x"); lmin = Vars->mxmin; lmax = Vars->mxmax; Vars->Coord_Min[Vars->Coord_Number+1] = Vars->mxmin; Vars->Coord_Max[Vars->Coord_Number+1] = Vars->mxmax;} if (!strcmp(token, "y")) { Set_Vars_Coord_Type = DEFS->COORD_Y; strcpy(Set_Vars_Coord_Label,"y [m]"); strcpy(Set_Vars_Coord_Var,"y"); lmin = Vars->mymin; lmax = Vars->mymax; Vars->Coord_Min[Vars->Coord_Number+1] = Vars->mymin; Vars->Coord_Max[Vars->Coord_Number+1] = Vars->mymax;} if (!strcmp(token, "z")) { Set_Vars_Coord_Type = DEFS->COORD_Z; strcpy(Set_Vars_Coord_Label,"z [m]"); strcpy(Set_Vars_Coord_Var,"z"); lmin = Vars->mzmin; lmax = Vars->mzmax; } if (!strcmp(token, "k") || !strcmp(token, "wavevector")) { Set_Vars_Coord_Type = DEFS->COORD_K; strcpy(Set_Vars_Coord_Label,"|k| [Angs-1]"); strcpy(Set_Vars_Coord_Var,"k"); lmin = 0; lmax = 10; } if (!strcmp(token, "v")) { Set_Vars_Coord_Type = DEFS->COORD_V; strcpy(Set_Vars_Coord_Label,"Velocity [m/s]"); strcpy(Set_Vars_Coord_Var,"v"); lmin = 0; lmax = 10000; } if (!strcmp(token, "t") || !strcmp(token, "time") || !strcmp(token, "tof")) { Set_Vars_Coord_Type = DEFS->COORD_T; strcpy(Set_Vars_Coord_Label,"TOF [s]"); strcpy(Set_Vars_Coord_Var,"t"); lmin = 0; lmax = .1; } if (!strcmp(token, "phase")) { Set_Vars_Coord_Type = DEFS->COORD_PHASE; strcpy(Set_Vars_Coord_Label,"phase [rad]"); strcpy(Set_Vars_Coord_Var,"pha"); lmin = 0; lmax = 2*M_PI; } if ((!strcmp(token, "p") || !strcmp(token, "i") || !strcmp(token, "intensity") || !strcmp(token, "flux"))) { Set_Vars_Coord_Type = DEFS->COORD_P; strcpy(Set_Vars_Coord_Label,"Intensity"); strncat(Set_Vars_Coord_Label, " [p/s", 30); if (Vars->Flag_per_cm2) strncat(Set_Vars_Coord_Label, "/cm2", 30); if (XY > 1 && Vars->Coord_Number) strncat(Set_Vars_Coord_Label, "/bin", 30); strncat(Set_Vars_Coord_Label, "]", 30); strcpy(Set_Vars_Coord_Var,"I"); lmin = 0; lmax = FLT_MAX; if (Flag_auto>0) Flag_auto=0; } if (!strcmp(token, "vx")) { Set_Vars_Coord_Type = DEFS->COORD_VX; strcpy(Set_Vars_Coord_Label,"vx [m/s]"); strcpy(Set_Vars_Coord_Var,"vx"); lmin = -1000; lmax = 1000; } if (!strcmp(token, "vy")) { Set_Vars_Coord_Type = DEFS->COORD_VY; strcpy(Set_Vars_Coord_Label,"vy [m/s]"); strcpy(Set_Vars_Coord_Var,"vy"); lmin = -1000; lmax = 1000; } if (!strcmp(token, "vz")) { Set_Vars_Coord_Type = DEFS->COORD_VZ; strcpy(Set_Vars_Coord_Label,"vz [m/s]"); strcpy(Set_Vars_Coord_Var,"vz"); lmin = -10000; lmax = 10000; } if (!strcmp(token, "kx")) { Set_Vars_Coord_Type = DEFS->COORD_KX; strcpy(Set_Vars_Coord_Label,"kx [Angs-1]"); strcpy(Set_Vars_Coord_Var,"kx"); lmin = -1; lmax = 1; } if (!strcmp(token, "ky")) { Set_Vars_Coord_Type = DEFS->COORD_KY; strcpy(Set_Vars_Coord_Label,"ky [Angs-1]"); strcpy(Set_Vars_Coord_Var,"ky"); lmin = -1; lmax = 1; } if (!strcmp(token, "kz")) { Set_Vars_Coord_Type = DEFS->COORD_KZ; strcpy(Set_Vars_Coord_Label,"kz [Angs-1]"); strcpy(Set_Vars_Coord_Var,"kz"); lmin = -10; lmax = 10; } if (!strcmp(token, "Ex")) { Set_Vars_Coord_Type = DEFS->COORD_EX; strcpy(Set_Vars_Coord_Label,"Ex [1]"); strcpy(Set_Vars_Coord_Var,"Ex"); lmin = -1; lmax = 1; } if (!strcmp(token, "Ey")) { Set_Vars_Coord_Type = DEFS->COORD_EY; strcpy(Set_Vars_Coord_Label,"Ey [1]"); strcpy(Set_Vars_Coord_Var,"Ey"); lmin = -1; lmax = 1; } if (!strcmp(token, "Ez")) { Set_Vars_Coord_Type = DEFS->COORD_EZ; strcpy(Set_Vars_Coord_Label,"Ez [1]"); strcpy(Set_Vars_Coord_Var,"Ez"); lmin = -1; lmax = 1; } if (!strcmp(token, "energy") || !strcmp(token, "omega") || !strcmp(token, "e")) { Set_Vars_Coord_Type = DEFS->COORD_ENERGY; strcpy(Set_Vars_Coord_Label,"Energy [keV]"); strcpy(Set_Vars_Coord_Var,"E"); lmin = 0; lmax = 100; } if (!strcmp(token, "lambda") || !strcmp(token, "wavelength") || !strcmp(token, "l")) { Set_Vars_Coord_Type = DEFS->COORD_LAMBDA; strcpy(Set_Vars_Coord_Label,"Wavelength [Angs]"); strcpy(Set_Vars_Coord_Var,"L"); lmin = 0; lmax = 100; } if (!strcmp(token, "radius") || !strcmp(token, "r")) { Set_Vars_Coord_Type = DEFS->COORD_RADIUS; strcpy(Set_Vars_Coord_Label,"Radius [m]"); strcpy(Set_Vars_Coord_Var,"xy"); lmin = 0; lmax = xmax; } if (!strcmp(token, "xy")) { Set_Vars_Coord_Type = DEFS->COORD_XY; strcpy(Set_Vars_Coord_Label,"Radius (xy) [m]"); strcpy(Set_Vars_Coord_Var,"xy"); lmin = 0; lmax = xmax; } if (!strcmp(token, "yz")) { Set_Vars_Coord_Type = DEFS->COORD_YZ; strcpy(Set_Vars_Coord_Label,"Radius (yz) [m]"); strcpy(Set_Vars_Coord_Var,"yz"); lmin = 0; lmax = xmax; } if (!strcmp(token, "xz")) { Set_Vars_Coord_Type = DEFS->COORD_XZ; strcpy(Set_Vars_Coord_Label,"Radius (xz) [m]"); strcpy(Set_Vars_Coord_Var,"xz"); lmin = 0; lmax = xmax; } if (!strcmp(token, "vxy")) { Set_Vars_Coord_Type = DEFS->COORD_VXY; strcpy(Set_Vars_Coord_Label,"Radial Velocity (xy) [m]"); strcpy(Set_Vars_Coord_Var,"Vxy"); lmin = 0; lmax = 2000; } if (!strcmp(token, "kxy")) { Set_Vars_Coord_Type = DEFS->COORD_KXY; strcpy(Set_Vars_Coord_Label,"Radial Wavevector (xy) [Angs-1]"); strcpy(Set_Vars_Coord_Var,"Kxy"); lmin = 0; lmax = 2; } if (!strcmp(token, "vyz")) { Set_Vars_Coord_Type = DEFS->COORD_VYZ; strcpy(Set_Vars_Coord_Label,"Radial Velocity (yz) [m]"); strcpy(Set_Vars_Coord_Var,"Vyz"); lmin = 0; lmax = 2000; } if (!strcmp(token, "kyz")) { Set_Vars_Coord_Type = DEFS->COORD_KYZ; strcpy(Set_Vars_Coord_Label,"Radial Wavevector (yz) [Angs-1]"); strcpy(Set_Vars_Coord_Var,"Kyz"); lmin = 0; lmax = 2; } if (!strcmp(token, "vxz")) { Set_Vars_Coord_Type = DEFS->COORD_VXZ; strcpy(Set_Vars_Coord_Label,"Radial Velocity (xz) [m]"); strcpy(Set_Vars_Coord_Var,"Vxz"); lmin = 0; lmax = 2000; } if (!strcmp(token, "kxz")) { Set_Vars_Coord_Type = DEFS->COORD_KXZ; strcpy(Set_Vars_Coord_Label,"Radial Wavevector (xz) [Angs-1]"); strcpy(Set_Vars_Coord_Var,"Kxz"); lmin = 0; lmax = 2; } if (!strcmp(token, "angle") || !strcmp(token, "a")) { Set_Vars_Coord_Type = DEFS->COORD_ANGLE; strcpy(Set_Vars_Coord_Label,"Angle [deg]"); strcpy(Set_Vars_Coord_Var,"A"); lmin = -50; lmax = 50; } if (!strcmp(token, "hdiv")|| !strcmp(token, "divergence") || !strcmp(token, "xdiv") || !strcmp(token, "hd") || !strcmp(token, "dx")) { Set_Vars_Coord_Type = DEFS->COORD_HDIV; strcpy(Set_Vars_Coord_Label,"Hor. Divergence [deg]"); strcpy(Set_Vars_Coord_Var,"hd"); lmin = -5; lmax = 5; } if (!strcmp(token, "vdiv") || !strcmp(token, "ydiv") || !strcmp(token, "vd") || !strcmp(token, "dy")) { Set_Vars_Coord_Type = DEFS->COORD_VDIV; strcpy(Set_Vars_Coord_Label,"Vert. Divergence [deg]"); strcpy(Set_Vars_Coord_Var,"vd"); lmin = -5; lmax = 5; } if (!strcmp(token, "theta") || !strcmp(token, "longitude") || !strcmp(token, "th")) { Set_Vars_Coord_Type = DEFS->COORD_THETA; strcpy(Set_Vars_Coord_Label,"Longitude [deg]"); strcpy(Set_Vars_Coord_Var,"th"); lmin = -180; lmax = 180; } if (!strcmp(token, "phi") || !strcmp(token, "latitude") || !strcmp(token, "ph")) { Set_Vars_Coord_Type = DEFS->COORD_PHI; strcpy(Set_Vars_Coord_Label,"Latitude [deg]"); strcpy(Set_Vars_Coord_Var,"ph"); lmin = -90; lmax = 90; } if (!strcmp(token, "ncounts") || !strcmp(token, "n") || !strcmp(token, "photon")) { Set_Vars_Coord_Type = DEFS->COORD_NCOUNT; strcpy(Set_Vars_Coord_Label,"Photon ID [1]"); strcpy(Set_Vars_Coord_Var,"n"); lmin = 0; lmax = mcget_ncount(); if (Flag_auto>0) Flag_auto=0; } if (!strcmp(token, "id") || !strcmp(token, "pixel")) { Set_Vars_Coord_Type = DEFS->COORD_PIXELID; strcpy(Set_Vars_Coord_Label,"Pixel ID [1]"); strcpy(Set_Vars_Coord_Var,"id"); lmin = 0; lmax = FLT_MAX; if (Flag_auto>0) Flag_auto=0; Vars->Flag_List = 1; } if (!strcmp(token, "user") || !strcmp(token, "user1") || !strcmp(token, "u1")) { Set_Vars_Coord_Type = DEFS->COORD_USER1; strncpy(Set_Vars_Coord_Label,Vars->UserName1,30); strcpy(Set_Vars_Coord_Var,"U1"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "user2") || !strcmp(token, "u2")) { Set_Vars_Coord_Type = DEFS->COORD_USER2; strncpy(Set_Vars_Coord_Label,Vars->UserName2,30); strcpy(Set_Vars_Coord_Var,"U2"); lmin = -1e10; lmax = 1e10; } if (!strcmp(token, "user3") || !strcmp(token, "u3")) { Set_Vars_Coord_Type = DEFS->COORD_USER3; strncpy(Set_Vars_Coord_Label,Vars->UserName3,30); strcpy(Set_Vars_Coord_Var,"U3"); lmin = -1e10; lmax = 1e10; } /* now stores variable keywords detected, if any */ if (Set_Vars_Coord_Type != DEFS->COORD_NONE) { int Coord_Number = Vars->Coord_Number; if (Vars->Flag_log) { Set_Vars_Coord_Type |= DEFS->COORD_LOG; Vars->Flag_log = 0; } if (Flag_abs) { Set_Vars_Coord_Type |= DEFS->COORD_ABS; Flag_abs = 0; } if (Flag_auto != 0) { Set_Vars_Coord_Type |= DEFS->COORD_AUTO; if (Flag_auto > 0) Flag_auto = 0; } if (Set_Coord_Mode == DEFS->COORD_SIGNAL) { Coord_Number = 0; Vars->Flag_signal = Set_Vars_Coord_Type; } else { if (Coord_Number < MONnD_COORD_NMAX) { Coord_Number++; Vars->Coord_Number = Coord_Number; if (Set_Vars_Coord_Type != DEFS->COORD_PIXELID) Vars->Coord_NumberNoPixel++; } else if (Vars->Flag_Verbose) printf("Monitor_nD: %s reached max number of variables (%i).\n", Vars->compcurname, MONnD_COORD_NMAX); } Vars->Coord_Type[Coord_Number] = Set_Vars_Coord_Type; strncpy(Vars->Coord_Label[Coord_Number], Set_Vars_Coord_Label,30); strncpy(Vars->Coord_Var[Coord_Number], Set_Vars_Coord_Var,30); if (lmin > lmax) { XY = lmin; lmin=lmax; lmax = XY; } Vars->Coord_Min[Coord_Number] = lmin; Vars->Coord_Max[Coord_Number] = lmax; if (Set_Vars_Coord_Type == DEFS->COORD_NCOUNT || Set_Vars_Coord_Type == DEFS->COORD_PIXELID || Set_Vars_Coord_Type == DEFS->COORD_SIGNAL) Vars->Coord_Bin[Coord_Number] = 1; else Vars->Coord_Bin[Coord_Number] = 20; Set_Coord_Mode = DEFS->COORD_VAR; Flag_All = 0; Flag_No = 0; } else { /* no variable name could be read from options */ if (!iskeyword) { if (strcmp(token, "cm2") && strcmp(token, "incoming") && strcmp(token, "outgoing") && strcmp(token, "cm2") && strcmp(token, "cm^2") && strcmp(token, "float") && strcmp(token, "double") && strcmp(token, "binary") && strcmp(token, "steradian") && Vars->Flag_Verbose) printf("Monitor_nD: %s: unknown '%s' keyword in 'options'. Ignoring.\n", Vars->compcurname, token); } } carg++; } /* end if token */ } /* end while carg */ free(option_copy); if (carg == 128) printf("Monitor_nD: %s reached max number of tokens (%i). Skipping.\n", Vars->compcurname, 128); if ((Vars->Flag_Shape == DEFS->SHAPE_BOX) && (fabs(Vars->mzmax - Vars->mzmin) == 0)) Vars->Flag_Shape = DEFS->SHAPE_SQUARE; if (Vars->Flag_log == 1) Vars->Coord_Type[0] |= DEFS->COORD_LOG; if (Vars->Coord_Number == 0) { Vars->Flag_Auto_Limits=0; Vars->Flag_Multiple=0; Vars->Flag_List=0; } /* now setting Monitor Name from variable labels */ strcpy(Vars->Monitor_Label,""); XY = 1; /* will contain total bin number */ for (i = 0; i <= Vars->Coord_Number; i++) { if (Flag_auto != 0) Vars->Coord_Type[i] |= DEFS->COORD_AUTO; Set_Vars_Coord_Type = (Vars->Coord_Type[i] & (DEFS->COORD_LOG-1)); if ((Set_Vars_Coord_Type == DEFS->COORD_X) || (Set_Vars_Coord_Type == DEFS->COORD_Y) || (Set_Vars_Coord_Type == DEFS->COORD_Z)) strcpy(Short_Label[i],"Position"); else if ((Set_Vars_Coord_Type == DEFS->COORD_THETA) || (Set_Vars_Coord_Type == DEFS->COORD_PHI) || (Set_Vars_Coord_Type == DEFS->COORD_ANGLE)) strcpy(Short_Label[i],"Angle"); else if ((Set_Vars_Coord_Type == DEFS->COORD_XY) || (Set_Vars_Coord_Type == DEFS->COORD_XZ) || (Set_Vars_Coord_Type == DEFS->COORD_YZ) || (Set_Vars_Coord_Type == DEFS->COORD_RADIUS)) strcpy(Short_Label[i],"Radius"); else if ((Set_Vars_Coord_Type == DEFS->COORD_VX) || (Set_Vars_Coord_Type == DEFS->COORD_VY) || (Set_Vars_Coord_Type == DEFS->COORD_VZ) || (Set_Vars_Coord_Type == DEFS->COORD_V) || (Set_Vars_Coord_Type == DEFS->COORD_VXY) || (Set_Vars_Coord_Type == DEFS->COORD_VYZ) || (Set_Vars_Coord_Type == DEFS->COORD_VXZ)) strcpy(Short_Label[i],"Velocity"); else if ((Set_Vars_Coord_Type == DEFS->COORD_KX) || (Set_Vars_Coord_Type == DEFS->COORD_KY) || (Set_Vars_Coord_Type == DEFS->COORD_KZ) || (Set_Vars_Coord_Type == DEFS->COORD_KXY) || (Set_Vars_Coord_Type == DEFS->COORD_KYZ) || (Set_Vars_Coord_Type == DEFS->COORD_KXZ) || (Set_Vars_Coord_Type == DEFS->COORD_K)) strcpy(Short_Label[i],"Wavevector"); else if ((Set_Vars_Coord_Type == DEFS->COORD_EX) || (Set_Vars_Coord_Type == DEFS->COORD_EY) || (Set_Vars_Coord_Type == DEFS->COORD_EZ)) strcpy(Short_Label[i],"Polarisation"); else if ((Set_Vars_Coord_Type == DEFS->COORD_HDIV) || (Set_Vars_Coord_Type == DEFS->COORD_VDIV)) strcpy(Short_Label[i],"Divergence"); else if (Set_Vars_Coord_Type == DEFS->COORD_ENERGY) strcpy(Short_Label[i],"Energy"); else if (Set_Vars_Coord_Type == DEFS->COORD_LAMBDA) strcpy(Short_Label[i],"Wavelength"); else if (Set_Vars_Coord_Type == DEFS->COORD_NCOUNT) strcpy(Short_Label[i],"Photon_ID"); else if (Set_Vars_Coord_Type == DEFS->COORD_PIXELID) strcpy(Short_Label[i],"Pixel_ID"); else if (Set_Vars_Coord_Type == DEFS->COORD_T) strcpy(Short_Label[i],"Time_Of_Flight"); else if (Set_Vars_Coord_Type == DEFS->COORD_PHASE) strcpy(Short_Label[i],"Phase"); else if (Set_Vars_Coord_Type == DEFS->COORD_P) strcpy(Short_Label[i],"Intensity"); else if (Set_Vars_Coord_Type == DEFS->COORD_USER1) strncpy(Short_Label[i],Vars->UserName1,30); else if (Set_Vars_Coord_Type == DEFS->COORD_USER2) strncpy(Short_Label[i],Vars->UserName2,30); else if (Set_Vars_Coord_Type == DEFS->COORD_USER3) strncpy(Short_Label[i],Vars->UserName3,30); else strcpy(Short_Label[i],"Unknown"); if (Vars->Coord_Type[i] & DEFS->COORD_ABS) { strcat(Vars->Coord_Label[i]," (abs)"); } if (Vars->Coord_Type[i] & DEFS->COORD_LOG) { strcat(Vars->Coord_Label[i]," (log)"); } strcat(Vars->Monitor_Label, " "); strcat(Vars->Monitor_Label, Short_Label[i]); XY *= Vars->Coord_Bin[i]; } /* end for Short_Label */ if ((Vars->Coord_Type[0] & (DEFS->COORD_LOG-1)) == DEFS->COORD_P) { strncat(Vars->Coord_Label[0], " [p/s", 30); if (Vars->Flag_per_cm2) strncat(Vars->Coord_Label[0], "/cm2", 30); if (XY > 1 && Vars->Coord_Number) strncat(Vars->Coord_Label[0], "/bin", 30); strncat(Vars->Coord_Label[0], "]", 30); } /* update label 'signal per bin' if more than 1 bin */ if (XY > 1 && Vars->Coord_Number) { if (Vars->Flag_capture) printf("Monitor_nD: %s: Using capture flux weightening on %ld bins.\n" "WARNING Use binned data with caution, and prefer monitor integral value (I,Ierr).\n", Vars->compcurname, (long)XY); } strcat(Vars->Monitor_Label, " Monitor"); if (Vars->Flag_Shape == DEFS->SHAPE_SQUARE) strcat(Vars->Monitor_Label, " (Square)"); if (Vars->Flag_Shape == DEFS->SHAPE_DISK) strcat(Vars->Monitor_Label, " (Disk)"); if (Vars->Flag_Shape == DEFS->SHAPE_SPHERE) strcat(Vars->Monitor_Label, " (Sphere)"); if (Vars->Flag_Shape == DEFS->SHAPE_CYLIND) strcat(Vars->Monitor_Label, " (Cylinder)"); if (Vars->Flag_Shape == DEFS->SHAPE_BANANA) strcat(Vars->Monitor_Label, " (Banana)"); if (Vars->Flag_Shape == DEFS->SHAPE_BOX) strcat(Vars->Monitor_Label, " (Box)"); if (Vars->Flag_Shape == DEFS->SHAPE_PREVIOUS) strcat(Vars->Monitor_Label, " (on PREVIOUS)"); if (Vars->Flag_Shape == DEFS->SHAPE_OFF) strcat(Vars->Monitor_Label, " (OFF geometry)"); if ((Vars->Flag_Shape == DEFS->SHAPE_CYLIND) || (Vars->Flag_Shape == DEFS->SHAPE_BANANA) || (Vars->Flag_Shape == DEFS->SHAPE_SPHERE) || (Vars->Flag_Shape == DEFS->SHAPE_BOX)) { if (strstr(Vars->option, "incoming")) { Vars->Flag_Shape = abs(Vars->Flag_Shape); strcat(Vars->Monitor_Label, " [in]"); } else /* if strstr(Vars->option, "outgoing")) */ { Vars->Flag_Shape = -abs(Vars->Flag_Shape); strcat(Vars->Monitor_Label, " [out]"); } } if (Vars->Flag_UsePreMonitor == 1) { strcat(Vars->Monitor_Label, " at "); strncat(Vars->Monitor_Label, Vars->UserName1,30); } if (Vars->Flag_log == 1) strcat(Vars->Monitor_Label, " [log] "); /* now allocate memory to store variables in TRACE */ /* Vars->Coord_Number 0 : intensity or signal * Vars->Coord_Number 1:n : detector variables */ if ((Vars->Coord_NumberNoPixel != 2) && !Vars->Flag_Multiple && !Vars->Flag_List) { Vars->Flag_Multiple = 1; /* default is n1D */ if (Vars->Coord_Number != Vars->Coord_NumberNoPixel) Vars->Flag_List = 1; } /* list and auto limits case : Vars->Flag_List or Vars->Flag_Auto_Limits * -> Buffer to flush and suppress after Vars->Flag_Auto_Limits */ if ((Vars->Flag_Auto_Limits || Vars->Flag_List) && Vars->Coord_Number) { /* Dim : (Vars->Coord_Number+1)*Vars->Buffer_Block matrix (for p, dp) */ Vars->Mon2D_Buffer = (double *)malloc((Vars->Coord_Number+1)*Vars->Buffer_Block*sizeof(double)); if (Vars->Mon2D_Buffer == NULL) { printf("Monitor_nD: %s cannot allocate Vars->Mon2D_Buffer (%zi). No list and auto limits.\n", Vars->compcurname, Vars->Buffer_Block*(Vars->Coord_Number+1)*sizeof(double)); Vars->Flag_List = 0; Vars->Flag_Auto_Limits = 0; } else { for (i=0; i < (Vars->Coord_Number+1)*Vars->Buffer_Block; Vars->Mon2D_Buffer[i++] = (double)0); } Vars->Buffer_Size = Vars->Buffer_Block; } /* 1D and n1D case : Vars->Flag_Multiple */ if (Vars->Flag_Multiple && Vars->Coord_NumberNoPixel) { /* Dim : Vars->Coord_Number*Vars->Coord_Bin[i] vectors */ Vars->Mon2D_N = (double **)malloc((Vars->Coord_Number)*sizeof(double *)); Vars->Mon2D_p = (double **)malloc((Vars->Coord_Number)*sizeof(double *)); Vars->Mon2D_p2 = (double **)malloc((Vars->Coord_Number)*sizeof(double *)); if ((Vars->Mon2D_N == NULL) || (Vars->Mon2D_p == NULL) || (Vars->Mon2D_p2 == NULL)) { fprintf(stderr,"Monitor_nD: %s n1D cannot allocate Vars->Mon2D_N/p/p2 (%zi). Fatal.\n", Vars->compcurname, (Vars->Coord_Number)*sizeof(double *)); exit(-1); } for (i= 1; i <= Vars->Coord_Number; i++) { Vars->Mon2D_N[i-1] = (double *)malloc(Vars->Coord_Bin[i]*sizeof(double)); Vars->Mon2D_p[i-1] = (double *)malloc(Vars->Coord_Bin[i]*sizeof(double)); Vars->Mon2D_p2[i-1] = (double *)malloc(Vars->Coord_Bin[i]*sizeof(double)); if ((Vars->Mon2D_N == NULL) || (Vars->Mon2D_p == NULL) || (Vars->Mon2D_p2 == NULL)) { fprintf(stderr,"Monitor_nD: %s n1D cannot allocate %s Vars->Mon2D_N/p/p2[%li] (%zi). Fatal.\n", Vars->compcurname, Vars->Coord_Var[i], i, (Vars->Coord_Bin[i])*sizeof(double *)); exit(-1); } else { for (j=0; j < Vars->Coord_Bin[i]; j++ ) { Vars->Mon2D_N[i-1][j] = (double)0; Vars->Mon2D_p[i-1][j] = (double)0; Vars->Mon2D_p2[i-1][j] = (double)0; } } } } else /* 2D case : Vars->Coord_Number==2 and !Vars->Flag_Multiple and !Vars->Flag_List */ if ((Vars->Coord_NumberNoPixel == 2) && !Vars->Flag_Multiple) { /* Dim : Vars->Coord_Bin[1]*Vars->Coord_Bin[2] matrix */ Vars->Mon2D_N = (double **)malloc((Vars->Coord_Bin[1])*sizeof(double *)); Vars->Mon2D_p = (double **)malloc((Vars->Coord_Bin[1])*sizeof(double *)); Vars->Mon2D_p2 = (double **)malloc((Vars->Coord_Bin[1])*sizeof(double *)); if ((Vars->Mon2D_N == NULL) || (Vars->Mon2D_p == NULL) || (Vars->Mon2D_p2 == NULL)) { fprintf(stderr,"Monitor_nD: %s 2D cannot allocate %s Vars->Mon2D_N/p/p2 (%zi). Fatal.\n", Vars->compcurname, Vars->Coord_Var[1], (Vars->Coord_Bin[1])*sizeof(double *)); exit(-1); } for (i= 0; i < Vars->Coord_Bin[1]; i++) { Vars->Mon2D_N[i] = (double *)malloc(Vars->Coord_Bin[2]*sizeof(double)); Vars->Mon2D_p[i] = (double *)malloc(Vars->Coord_Bin[2]*sizeof(double)); Vars->Mon2D_p2[i] = (double *)malloc(Vars->Coord_Bin[2]*sizeof(double)); if ((Vars->Mon2D_N == NULL) || (Vars->Mon2D_p == NULL) || (Vars->Mon2D_p2 == NULL)) { fprintf(stderr,"Monitor_nD: %s 2D cannot allocate %s Vars->Mon2D_N/p/p2[%li] (%zi). Fatal.\n", Vars->compcurname, Vars->Coord_Var[1], i, (Vars->Coord_Bin[2])*sizeof(double *)); exit(-1); } else { for (j=0; j < Vars->Coord_Bin[2]; j++ ) { Vars->Mon2D_N[i][j] = (double)0; Vars->Mon2D_p[i][j] = (double)0; Vars->Mon2D_p2[i][j] = (double)0; } } } } else { Vars->Mon2D_N = Vars->Mon2D_p = Vars->Mon2D_p2 = NULL; } /* no Mon2D allocated for * (Vars->Coord_Number != 2) && !Vars->Flag_Multiple && Vars->Flag_List */ Vars->psum = 0; Vars->p2sum = 0; Vars->Nsum = 0; Vars->area = fabs(Vars->mxmax - Vars->mxmin)*fabs(Vars->mymax - Vars->mymin)*1E4; /* in cm**2 for square and box shapes */ Vars->Sphere_Radius = fabs(Vars->mxmax - Vars->mxmin)/2; if ((abs(Vars->Flag_Shape) == DEFS->SHAPE_DISK) || (abs(Vars->Flag_Shape) == DEFS->SHAPE_SPHERE)) { Vars->area = PI*Vars->Sphere_Radius*Vars->Sphere_Radius*1E4; /* disk shapes */ } if (Vars->area == 0 && abs(Vars->Flag_Shape) != DEFS->SHAPE_PREVIOUS ) { if (abs(Vars->Flag_Shape) != DEFS->SHAPE_OFF) { Vars->Coord_Number = 0; } } if (Vars->Coord_Number == 0 && Vars->Flag_Verbose) printf("Monitor_nD: %s is inactivated (0D)\n", Vars->compcurname); Vars->Cylinder_Height = fabs(Vars->mymax - Vars->mymin); if (Vars->Flag_Verbose) { printf("Monitor_nD: %s is a %s.\n", Vars->compcurname, Vars->Monitor_Label); printf("Monitor_nD: version %s with options=%s\n", MONITOR_ND_LIB_H, Vars->option); } /* compute the product of bin dimensions for PixelID */ Vars->Coord_BinProd[0]=1; for (i = 1; i <= Vars->Coord_Number; i++) { Vars->Coord_BinProd[i]=Vars->Coord_Bin[i]*Vars->Coord_BinProd[i-1]; } #ifdef USE_NEXUS #ifdef USE_MPI if(mpi_node_rank == mpi_node_root) { #endif if(nxhandle) { /* This section of code writes detector shape information to entryN/instrument/components/'name'/geometry in the NeXus file */ char nexuscomp[CHAR_BUF_LENGTH]; char pref[5]; if (Vars->compcurindex-1 < 10) { sprintf(pref,"000"); } else if (Vars->compcurindex-1 < 100) { sprintf(pref,"00"); } else if (Vars->compcurindex-1 < 1000) { sprintf(pref,"0"); } else if (Vars->compcurindex-1 < 10000) { sprintf(pref,""); } else { fprintf(stderr,"Error, no support for > 10000 comps at the moment!\n"); exit(-1); } sprintf(nexuscomp,"%s%d_%s",pref,Vars->compcurindex-1,Vars->compcurname); if (NXopengroup(nxhandle, "instrument", "NXinstrument") == NX_OK) { if (NXopengroup(nxhandle, "components", "NXdata") == NX_OK) { if (NXopengroup(nxhandle, nexuscomp, "NXdata") == NX_OK) { if (NXmakegroup(nxhandle, "Geometry", "NXdata") == NX_OK) { if (NXopengroup(nxhandle, "Geometry", "NXdata") == NX_OK) { char tmp[CHAR_BUF_LENGTH]; sprintf(tmp,"%g",Vars->Sphere_Radius); nxprintattr(nxhandle, "radius", tmp); sprintf(tmp,"%g",Vars->Cylinder_Height); nxprintattr(nxhandle, "height", tmp); sprintf(tmp,"%g",Vars->mxmin); nxprintattr(nxhandle, "xmin", tmp); sprintf(tmp,"%g",Vars->mxmax); nxprintattr(nxhandle, "xmax", tmp); sprintf(tmp,"%g",Vars->mymin); nxprintattr(nxhandle, "ymin", tmp); sprintf(tmp,"%g",Vars->mymax); nxprintattr(nxhandle, "ymax", tmp); sprintf(tmp,"%g",Vars->mzmin); nxprintattr(nxhandle, "zmin", tmp); sprintf(tmp,"%g",Vars->mzmax); nxprintattr(nxhandle, "zmax", tmp); sprintf(tmp,"%g",Vars->mzmin); nxprintattr(nxhandle, "zmin", tmp); sprintf(tmp,"%g",Vars->mzmax); nxprintattr(nxhandle, "zmax", tmp); sprintf(tmp,"%i",Vars->Flag_Shape); nxprintattr(nxhandle, "Shape identifier", tmp); sprintf(tmp,"%s",Vars->Monitor_Label); nxprintattr(nxhandle, "Shape string", tmp); sprintf(tmp,"%s",Vars->option); nxprintattr(nxhandle, "Option string", tmp); NXclosegroup(nxhandle); // Geometry } else { printf("Failed to open component NeXus component Geometry group\n"); } } else { printf("Failed to create component NeXus component Geometry group\n"); } NXclosegroup(nxhandle); // component } NXclosegroup(nxhandle); // components } else { printf("Failed to open NeXus component hierarchy\n"); } NXclosegroup(nxhandle); // instrument } // nxhandle available #ifdef USE_MPI } // Master only #endif #endif // USE_NEXUS } /* end Monitor_nD_Init */ /* ========================================================================= */ /* Monitor_nD_Trace: this routine is used to monitor one propagating particle */ /* return values: 0=photon was absorbed, -1=photon was outside bounds, 1=photon was measured*/ /* ========================================================================= */ int Monitor_nD_Trace(MonitornD_Defines_type *DEFS, MonitornD_Variables_type *Vars, _class_particle* _particle) { double XY=0, pp=0; long i =0, j =0; double Coord[MONnD_COORD_NMAX]; long Coord_Index[MONnD_COORD_NMAX]; char While_End =0; long While_Buffer=0; char Set_Vars_Coord_Type = DEFS->COORD_NONE; /* the logic below depends mainly on: Flag_List: 1=store 1 buffer, 2=list all, 3=re-use buffer Flag_Auto_Limits: 0 (no auto limits/list), 1 (store events into Buffer), 2 (re-emit store events) */ /* Vars->Flag_Auto_Limits=1: buffer full, we read the Buffer, and determine min and max bounds */ if ((Vars->Buffer_Counter >= Vars->Buffer_Block) && (Vars->Flag_Auto_Limits == 1) && (Vars->Coord_Number > 0)) { /* auto limits case : get limits in Buffer for each variable */ /* Dim : (Vars->Coord_Number+1)*Vars->Buffer_Block matrix (for p, dp) */ if (Vars->Flag_Verbose) printf("Monitor_nD: %s getting %li Auto Limits from List (%li events) in TRACE.\n", Vars->compcurname, Vars->Coord_Number, Vars->Buffer_Counter); for (i = 1; i <= Vars->Coord_Number; i++) { if (Vars->Coord_Type[i] & DEFS->COORD_AUTO) { Vars->Coord_Min[i] = FLT_MAX; Vars->Coord_Max[i] = -FLT_MAX; for (j = 0; j < Vars->Buffer_Counter; j++) { XY = Vars->Mon2D_Buffer[i+j*(Vars->Coord_Number+1)]; /* scanning variables in Buffer */ if (XY < Vars->Coord_Min[i]) Vars->Coord_Min[i] = XY; if (XY > Vars->Coord_Max[i]) Vars->Coord_Max[i] = XY; } if (Vars->Flag_Verbose) printf(" %s: min=%g max=%g\n", Vars->Coord_Var[i], Vars->Coord_Min[i], Vars->Coord_Max[i]); } } Vars->Flag_Auto_Limits = 2; /* pass to 2nd auto limits step (read Buffer and generate new events to store in histograms) */ } /* end if Flag_Auto_Limits == 1 */ #ifndef OPENACC /* manage realloc for 'list all' if Buffer size exceeded: flush Buffer to file */ if ((Vars->Buffer_Counter >= Vars->Buffer_Block) && (Vars->Flag_List >= 2)) { if (Vars->Buffer_Size >= 1000000 || Vars->Flag_List == 3) { /* save current (possibly append) and re-use Buffer */ Monitor_nD_Save(DEFS, Vars); Vars->Flag_List = 3; Vars->Buffer_Block = Vars->Buffer_Size; Vars->Buffer_Counter = 0; Vars->Photon_Counter = 0; } else { Vars->Mon2D_Buffer = (double *)realloc(Vars->Mon2D_Buffer, (Vars->Coord_Number+1)*(2*Vars->Buffer_Block)*sizeof(double)); if (Vars->Mon2D_Buffer == NULL) { printf("Monitor_nD: %s cannot reallocate Vars->Mon2D_Buffer[%li] (%zi). Skipping.\n", Vars->compcurname, i, (long int)(2*Vars->Buffer_Block)*sizeof(double)); Vars->Flag_List = 1; } else { Vars->Buffer_Block = 2*Vars->Buffer_Block; Vars->Buffer_Size = Vars->Buffer_Block; } } } /* end if Buffer realloc */ #endif char outsidebounds=0; while (!While_End) { /* we generate Coord[] and Coord_index[] from Buffer (auto limits) or passing photon */ if ((Vars->Flag_Auto_Limits == 2) && (Vars->Coord_Number > 0)) { /* Vars->Flag_Auto_Limits == 2: read back from Buffer (Buffer is filled or auto limits have been computed) */ if (While_Buffer < Vars->Buffer_Block) { /* first while loop (While_Buffer) */ /* auto limits case : scan Buffer within limits and store in Mon2D */ Coord[0] = pp = Vars->Mon2D_Buffer[While_Buffer*(Vars->Coord_Number+1)]; for (i = 1; i <= Vars->Coord_Number; i++) { /* scanning variables in Buffer */ if (Vars->Coord_Bin[i] <= 1) continue; XY = (Vars->Coord_Max[i]-Vars->Coord_Min[i]); Coord[i] = Vars->Mon2D_Buffer[i+While_Buffer*(Vars->Coord_Number+1)]; if (XY > 0) Coord_Index[i] = floor((Coord[i]-Vars->Coord_Min[i])*Vars->Coord_Bin[i]/XY); else Coord_Index[i] = 0; if (Vars->Flag_With_Borders) { if (Coord_Index[i] < 0) Coord_Index[i] = 0; if (Coord_Index[i] >= Vars->Coord_Bin[i]) Coord_Index[i] = Vars->Coord_Bin[i] - 1; } } /* end for */ /* update the PixelID, we compute it from the previous variables index */ if (Vars->Coord_NumberNoPixel < Vars->Coord_Number) /* there is a Pixel variable */ for (i = 1; i <= Vars->Coord_Number; i++) { char Set_Vars_Coord_Type = (Vars->Coord_Type[i] & (DEFS->COORD_LOG-1)); if (Set_Vars_Coord_Type == DEFS->COORD_PIXELID) { char flag_outside=0; Coord_Index[i] = Coord[i] = 0; for (j= 1; j < i; j++) { /* not for 1D variables with Bin=1 such as PixelID, NCOUNT, Intensity */ if (Vars->Coord_Bin[j] == 1) continue; if (0 > Coord_Index[j] || Coord_Index[j] >= Vars->Coord_Bin[j]) { flag_outside=1; Coord[i] = 0; break; } Coord[i] += Coord_Index[j]*Vars->Coord_BinProd[j-1]; } if (!flag_outside) { Vars->Mon2D_Buffer[i+While_Buffer*(Vars->Coord_Number+1)] = Coord[i]; } } /* end if PixelID */ } While_Buffer++; } /* end if in Buffer */ else /* (While_Buffer >= Vars->Buffer_Block) && (Vars->Flag_Auto_Limits == 2) */ { Vars->Flag_Auto_Limits = 0; if (!Vars->Flag_List) /* free Buffer not needed anymore (no list to output) */ { /* Dim : (Vars->Coord_Number+1)*Vars->Buffer_Block matrix (for p, p2) */ free(Vars->Mon2D_Buffer); Vars->Mon2D_Buffer = NULL; } if (Vars->Flag_Verbose) printf("Monitor_nD: %s flushed %li Auto Limits from List (%li) in TRACE.\n", Vars->compcurname, Vars->Coord_Number, Vars->Buffer_Counter); } } /* if Vars->Flag_Auto_Limits == 2 */ if (Vars->Flag_Auto_Limits != 2 || !Vars->Coord_Number) /* Vars->Flag_Auto_Limits == 0 (no auto limits/list) or 1 (store events into Buffer) */ { /* automatically compute area and steradian solid angle when in AUTO mode */ /* compute the steradian solid angle incoming on the monitor */ double k; double tmp; k=sqrt(_particle->kx*_particle->kx + _particle->ky*_particle->ky + _particle->kz*_particle->kz); tmp=_particle->x; if (Vars->min_x > _particle->x){ #pragma acc atomic write Vars->min_x = tmp; } if (Vars->max_x < _particle->x){ #pragma acc atomic write Vars->max_x = tmp; } tmp=_particle->y; if (Vars->min_y > _particle->y){ #pragma acc atomic write Vars->min_y = tmp; } if (Vars->max_y < _particle->y){ tmp=_particle->y; #pragma acc atomic write Vars->max_y = tmp; } #pragma acc atomic Vars->mean_p = Vars->mean_p + _particle->p; if (k) { tmp=_particle->p*fabs(_particle->kx/k); #pragma acc atomic Vars->mean_dx = Vars->mean_dx + tmp; //_particle->p*fabs(_particle->kx/k); tmp=_particle->p*fabs(_particle->ky/k); #pragma acc atomic Vars->mean_dy = Vars->mean_dy + tmp; //_particle->p*fabs(_particle->ky/k); } for (i = 0; i <= Vars->Coord_Number; i++) { /* handle current photon : last while */ XY = 0; Set_Vars_Coord_Type = (Vars->Coord_Type[i] & (DEFS->COORD_LOG-1)); /* get values for variables to monitor */ if (Set_Vars_Coord_Type == DEFS->COORD_X) XY = _particle->x; else if (Set_Vars_Coord_Type == DEFS->COORD_Y) XY = _particle->y; else if (Set_Vars_Coord_Type == DEFS->COORD_Z) XY = _particle->z; else if (Set_Vars_Coord_Type == DEFS->COORD_VX) XY = _particle->kx/k*M_C; else if (Set_Vars_Coord_Type == DEFS->COORD_VY) XY = _particle->ky/k*M_C; else if (Set_Vars_Coord_Type == DEFS->COORD_VZ) XY = _particle->kz/k*M_C; else if (Set_Vars_Coord_Type == DEFS->COORD_KX) XY = _particle->kx; else if (Set_Vars_Coord_Type == DEFS->COORD_KY) XY = _particle->ky; else if (Set_Vars_Coord_Type == DEFS->COORD_KZ) XY = _particle->kz; else if (Set_Vars_Coord_Type == DEFS->COORD_PHASE) XY = _particle->phi; else if (Set_Vars_Coord_Type == DEFS->COORD_T) XY = _particle->t; else if (Set_Vars_Coord_Type == DEFS->COORD_P) XY = _particle->p; else if (Set_Vars_Coord_Type == DEFS->COORD_HDIV) XY = RAD2DEG*atan2(_particle->kx,_particle->kz); else if (Set_Vars_Coord_Type == DEFS->COORD_VDIV) XY = RAD2DEG*atan2(_particle->ky,_particle->kz); else if (Set_Vars_Coord_Type == DEFS->COORD_V) XY = M_C; else if (Set_Vars_Coord_Type == DEFS->COORD_RADIUS) XY = sqrt(_particle->x*_particle->x+_particle->y*_particle->y+_particle->z*_particle->z); else if (Set_Vars_Coord_Type == DEFS->COORD_XY) XY = sqrt(_particle->x*_particle->x+_particle->y*_particle->y)*(_particle->x > 0 ? 1 : -1); else if (Set_Vars_Coord_Type == DEFS->COORD_YZ) XY = sqrt(_particle->y*_particle->y+_particle->z*_particle->z); else if (Set_Vars_Coord_Type == DEFS->COORD_XZ) XY = sqrt(_particle->x*_particle->x+_particle->z*_particle->z); else if (Set_Vars_Coord_Type == DEFS->COORD_VXY) XY = sqrt(_particle->kx*_particle->kx+_particle->ky*_particle->ky)/k*M_C; else if (Set_Vars_Coord_Type == DEFS->COORD_VXZ) XY = sqrt(_particle->kx*_particle->kx+_particle->kz*_particle->kz)/k*M_C; else if (Set_Vars_Coord_Type == DEFS->COORD_VYZ) XY = sqrt(_particle->ky*_particle->ky+_particle->kz*_particle->kz)/k*M_C; else if (Set_Vars_Coord_Type == DEFS->COORD_K) XY = k;//sqrt(_particle->kx*_particle->kx+_particle->ky*_particle->ky+_particle->kz*_particle->kz); else if (Set_Vars_Coord_Type == DEFS->COORD_KXY) XY = sqrt(_particle->kx*_particle->kx+_particle->ky*_particle->ky); else if (Set_Vars_Coord_Type == DEFS->COORD_KXZ) XY = sqrt(_particle->kx*_particle->kx+_particle->kz*_particle->kz); else if (Set_Vars_Coord_Type == DEFS->COORD_KYZ) XY = sqrt(_particle->ky*_particle->ky+_particle->kz*_particle->kz); else if (Set_Vars_Coord_Type == DEFS->COORD_ENERGY) XY = k*K2E; else if (Set_Vars_Coord_Type == DEFS->COORD_LAMBDA) { if (k!=0) XY = 2*M_PI/k; } else if (Set_Vars_Coord_Type == DEFS->COORD_NCOUNT) XY = _particle->_uid; else if (Set_Vars_Coord_Type == DEFS->COORD_ANGLE) { XY = sqrt(_particle->kx*_particle->kx+_particle->ky*_particle->ky); if (_particle->kz != 0) XY = RAD2DEG*atan2(XY,_particle->kz)*(_particle->x > 0 ? 1 : -1); else XY = 0; } else if (Set_Vars_Coord_Type == DEFS->COORD_THETA) { if (_particle->z != 0) XY = RAD2DEG*atan2(_particle->x,_particle->z); } else if (Set_Vars_Coord_Type == DEFS->COORD_PHI) { double rr=sqrt(_particle->x*_particle->x+ _particle->y*_particle->y + _particle->z*_particle->z); if (rr != 0) XY = RAD2DEG*asin(_particle->y/rr); } else if (Set_Vars_Coord_Type == DEFS->COORD_USER1) {int fail; XY = particle_getvar(_particle,Vars->UserVariable1,&fail); if(fail) XY=0; } else if (Set_Vars_Coord_Type == DEFS->COORD_USER2) {int fail; XY = particle_getvar(_particle,Vars->UserVariable2,&fail); if(fail) XY=0; } else if (Set_Vars_Coord_Type == DEFS->COORD_USER3) {int fail; XY = particle_getvar(_particle,Vars->UserVariable3,&fail); if(fail) XY=0; } else if (Set_Vars_Coord_Type == DEFS->COORD_PIXELID && !Vars->Flag_Auto_Limits) { /* compute the PixelID from previous coordinates the PixelID is the product of Coord_Index[i] in the detector geometry pixelID = sum( Coord_Index[j]*prod(Vars->Coord_Bin[1:(j-1)]) ) this does not apply when we store events in the buffer as Coord_Index is not set. Then the pixelID will be re-computed during SAVE. */ char flag_outside=0; for (j= 1; j < i; j++) { /* not for 1D variables with Bin=1 such as PixelID, NCOUNT, Intensity */ if (Vars->Coord_Bin[j] <= 1) continue; if (0 > Coord_Index[j] || Coord_Index[j] >= Vars->Coord_Bin[j]) { flag_outside=1; XY=0; break; } XY += Coord_Index[j]*Vars->Coord_BinProd[j-1]; } //if (Vars->Flag_mantid && Vars->Flag_OFF && Vars->OFF_polyidx >=0) XY=Vars->OFF_polyidx; if (!flag_outside) XY += Vars->Coord_Min[i]; } /* handle 'abs' and 'log' keywords */ if (Vars->Coord_Type[i] & DEFS->COORD_ABS) XY=fabs(XY); if (Vars->Coord_Type[i] & DEFS->COORD_LOG) /* compute log of variable if requested */ { if (XY > 0) XY = log(XY)/log(10); else XY = -100; } Coord[i] = XY; Coord_Index[i] = 0; if (i == 0) { pp = XY; Coord_Index[i] = 0; } else { /* check bounds for variables which have no automatic limits */ if ((!Vars->Flag_Auto_Limits || !(Vars->Coord_Type[i] & DEFS->COORD_AUTO)) && Vars->Coord_Bin[i]>1) { /* compute index in histograms for each variable to monitor */ XY = (Vars->Coord_Max[i]-Vars->Coord_Min[i]); if (XY > 0) Coord_Index[i] = floor((Coord[i]-Vars->Coord_Min[i])*Vars->Coord_Bin[i]/XY); if (Vars->Flag_With_Borders) { if (Coord_Index[i] >= Vars->Coord_Bin[i]) Coord_Index[i] = Vars->Coord_Bin[i] - 1; if (Coord_Index[i] < 0) Coord_Index[i] = 0; } //if (0 > Coord_Index[i] || Coord_Index[i] >= Vars->Coord_Bin[i]) // outsidebounds=1; } /* else will get Index later from Buffer when Flag_Auto_Limits == 2 */ } } /* end for i */ While_End = 1; }/* end else if Vars->Flag_Auto_Limits == 2 */ /* ====================================================================== */ /* store n1d/2d photon from Buffer (Auto_Limits == 2) or current photon in while */ if (Vars->Flag_Auto_Limits != 1) /* not when storing auto limits Buffer */ { /* apply per cm2 */ if (Vars->Flag_per_cm2 && Vars->area != 0) pp /= Vars->area; /* 2D case : Vars->Coord_Number==2 and !Vars->Flag_Multiple and !Vars->Flag_List */ if ( Vars->Coord_NumberNoPixel == 2 && !Vars->Flag_Multiple) { /* Dim : Vars->Coord_Bin[1]*Vars->Coord_Bin[2] matrix */ i = Coord_Index[1]; j = Coord_Index[2]; if (i >= 0 && i < Vars->Coord_Bin[1] && j >= 0 && j < Vars->Coord_Bin[2]) { if (Vars->Mon2D_N) { double p2 = pp*pp; #pragma acc atomic Vars->Mon2D_N[i][j] = Vars->Mon2D_N[i][j]+1; #pragma acc atomic Vars->Mon2D_p[i][j] = Vars->Mon2D_p[i][j]+pp; #pragma acc atomic Vars->Mon2D_p2[i][j] = Vars->Mon2D_p2[i][j] + p2; } } else { outsidebounds=1; } } else { /* 1D and n1D case : Vars->Flag_Multiple */ /* Dim : Vars->Coord_Number*Vars->Coord_Bin[i] vectors (intensity is not included) */ for (i= 1; i <= Vars->Coord_Number; i++) { j = Coord_Index[i]; if (j >= 0 && j < Vars->Coord_Bin[i]) { if (Vars->Flag_Multiple && Vars->Mon2D_N) { if (Vars->Mon2D_N) { double p2 = pp*pp; #pragma acc atomic Vars->Mon2D_N[i-1][j] = Vars->Mon2D_N[i-1][j]+1; #pragma acc atomic Vars->Mon2D_p[i-1][j] = Vars->Mon2D_p[i-1][j]+pp; #pragma acc atomic Vars->Mon2D_p2[i-1][j] = Vars->Mon2D_p2[i-1][j] + p2; } } } else { outsidebounds=1; break; } } } } /* end (Vars->Flag_Auto_Limits != 1) */ if (Vars->Flag_Auto_Limits != 2 && !outsidebounds) /* not when reading auto limits Buffer */ { /* now store Coord into Buffer (no index needed) if necessary (list or auto limits) */ if ((Vars->Buffer_Counter < Vars->Buffer_Block) && ((Vars->Flag_List) || (Vars->Flag_Auto_Limits == 1))) { for (i = 0; i <= Vars->Coord_Number; i++) { // This is is where the list is appended. How to make this "atomic"? #pragma acc atomic write Vars->Mon2D_Buffer[i + Vars->Buffer_Counter*(Vars->Coord_Number+1)] = Coord[i]; } #pragma acc atomic update Vars->Buffer_Counter = Vars->Buffer_Counter + 1; if (Vars->Flag_Verbose && (Vars->Buffer_Counter >= Vars->Buffer_Block) && (Vars->Flag_List == 1)) printf("Monitor_nD: %s %li photons stored in List.\n", Vars->compcurname, Vars->Buffer_Counter); } } /* end (Vars->Flag_Auto_Limits != 2) */ } /* end while */ #pragma acc atomic Vars->Nsum = Vars->Nsum + 1; #pragma acc atomic Vars->psum = Vars->psum + pp; #pragma acc atomic Vars->p2sum = Vars->p2sum + pp*pp; /*determine return value: 1:photon was in bounds and measured, -1: outside bounds, 0: outside bounds, should be absorbed.*/ if(outsidebounds){ if(Vars->Flag_Absorb){ return 0; }else{ return -1; } } else { /* For the OPENACC list buffer an atomic capture/update of the updated Neutron_counter - updated below under list mode Only need to be updated when inside bounds. */ #pragma acc atomic update Vars->Photon_Counter++; } return 1; } /* end Monitor_nD_Trace */ /* ========================================================================= */ /* Monitor_nD_Save: this routine is used to save data files */ /* ========================================================================= */ MCDETECTOR Monitor_nD_Save(MonitornD_Defines_type *DEFS, MonitornD_Variables_type *Vars) { char *fname; long i,j; double *p0m = NULL; double *p1m = NULL; double *p2m = NULL; char Coord_X_Label[CHAR_BUF_LENGTH]; double min1d, max1d; double min2d, max2d; char While_End = 0; long While_Buffer = 0; double XY=0, pp=0; double Coord[MONnD_COORD_NMAX]; long Coord_Index[MONnD_COORD_NMAX]; char label[CHAR_BUF_LENGTH]; double ratio; MCDETECTOR detector; strcpy(detector.options,Vars->option); ratio = 100.0*mcget_run_num()/mcget_ncount(); if (Vars->Flag_Verbose && Vars->Flag_per_cm2) { printf("Monitor_nD: %s: active flat detector area is %g [cm^2], total area is %g [cm^2]\n", Vars->compcurname, (Vars->max_x-Vars->min_x) *(Vars->max_y-Vars->min_y)*1E4, Vars->area); printf("Monitor_nD: %s: beam solid angle is %g [st] (%g x %g [deg^2])\n", Vars->compcurname, 2*fabs(2*atan2(Vars->mean_dx,Vars->mean_p) *sin(2*atan2(Vars->mean_dy,Vars->mean_p)/2)), atan2(Vars->mean_dx,Vars->mean_p)*RAD2DEG, atan2(Vars->mean_dy,Vars->mean_p)*RAD2DEG); } /* check Buffer flush when end of simulation reached */ if ((Vars->Buffer_Counter <= Vars->Buffer_Block) && Vars->Flag_Auto_Limits && Vars->Mon2D_Buffer && Vars->Buffer_Counter) { /* Get Auto Limits */ if (Vars->Flag_Verbose) printf("Monitor_nD: %s getting %li Auto Limits from List (%li events).\n", Vars->compcurname, Vars->Coord_Number, Vars->Buffer_Counter); for (i = 1; i <= Vars->Coord_Number; i++) { if ((Vars->Coord_Type[i] & DEFS->COORD_AUTO) && Vars->Coord_Bin[i] > 1) { Vars->Coord_Min[i] = FLT_MAX; Vars->Coord_Max[i] = -FLT_MAX; for (j = 0; j < Vars->Buffer_Counter; j++) { XY = Vars->Mon2D_Buffer[i+j*(Vars->Coord_Number+1)]; /* scanning variables in Buffer */ if (XY < Vars->Coord_Min[i]) Vars->Coord_Min[i] = XY; if (XY > Vars->Coord_Max[i]) Vars->Coord_Max[i] = XY; } if (Vars->Flag_Verbose) printf(" %s: min=%g max=%g in %li bins\n", Vars->Coord_Var[i], Vars->Coord_Min[i], Vars->Coord_Max[i], Vars->Coord_Bin[i]); } } Vars->Flag_Auto_Limits = 2; /* pass to 2nd auto limits step */ Vars->Buffer_Block = Vars->Buffer_Counter; while (!While_End) { /* we generate Coord[] and Coord_index[] from Buffer (auto limits) */ /* simulation ended before Buffer was filled. Limits have to be computed, and stored events must be sent into histograms */ if (While_Buffer < Vars->Buffer_Block) { /* first while loops (While_Buffer) */ Coord[0] = Vars->Mon2D_Buffer[While_Buffer*(Vars->Coord_Number+1)]; /* auto limits case : scan Buffer within limits and store in Mon2D */ for (i = 1; i <= Vars->Coord_Number; i++) { /* scanning variables in Buffer */ if (Vars->Coord_Bin[i] <= 1) Coord_Index[i] = 0; else { XY = (Vars->Coord_Max[i]-Vars->Coord_Min[i]); Coord[i] = Vars->Mon2D_Buffer[i+While_Buffer*(Vars->Coord_Number+1)]; if (XY > 0) Coord_Index[i] = floor((Coord[i]-Vars->Coord_Min[i])*Vars->Coord_Bin[i]/XY); else Coord_Index[i] = 0; if (Vars->Flag_With_Borders) { if (Coord_Index[i] < 0) Coord_Index[i] = 0; if (Coord_Index[i] >= Vars->Coord_Bin[i]) Coord_Index[i] = Vars->Coord_Bin[i] - 1; } } } /* end for */ /* update the PixelID, we compute it from the previous variables index */ for (i = 1; i <= Vars->Coord_Number; i++) { char Set_Vars_Coord_Type = (Vars->Coord_Type[i] & (DEFS->COORD_LOG-1)); if (Set_Vars_Coord_Type == DEFS->COORD_PIXELID) { char outsidebounds=0; Coord_Index[i] = Coord[i] = 0; for (j= 1; j < i; j++) { /* not for 1D variables with Bin=1 such as PixelID, NCOUNT, Intensity */ if (Vars->Coord_Bin[j] == 1) continue; if (0 > Coord_Index[j] || Coord_Index[j] >= Vars->Coord_Bin[j]) { outsidebounds=1; Coord[i] = 0; break; } Coord[i] += Coord_Index[j]*Vars->Coord_BinProd[j-1]; } if (!outsidebounds) { Vars->Mon2D_Buffer[i+While_Buffer*(Vars->Coord_Number+1)] = Coord[i]; } } /* end if PixelID */ } While_Buffer++; } /* end if in Buffer */ else /* (While_Buffer >= Vars->Buffer_Block) && (Vars->Flag_Auto_Limits == 2) */ { Vars->Flag_Auto_Limits = 0; While_End = 1; if (Vars->Flag_Verbose) printf("Monitor_nD: %s flushed %li Auto Limits from List (%li).\n", Vars->compcurname, Vars->Coord_Number, Vars->Buffer_Counter); } /* store n1d/2d section from Buffer */ pp = Coord[0]; /* apply per cm2 or per st */ if (Vars->Flag_per_cm2 && Vars->area != 0) pp /= Vars->area; /* 2D case : Vars->Coord_Number==2 and !Vars->Flag_Multiple and !Vars->Flag_List */ if (!Vars->Flag_Multiple && Vars->Coord_NumberNoPixel == 2) { /* Dim : Vars->Coord_Bin[1]*Vars->Coord_Bin[2] matrix */ i = Coord_Index[1]; j = Coord_Index[2]; if (i >= 0 && i < Vars->Coord_Bin[1] && j >= 0 && j < Vars->Coord_Bin[2]) { if (Vars->Mon2D_N) { Vars->Mon2D_N[i][j]++; Vars->Mon2D_p[i][j] += pp; Vars->Mon2D_p2[i][j] += pp*pp; } } else if (Vars->Flag_Absorb) pp=0; } else /* 1D and n1D case : Vars->Flag_Multiple */ { /* Dim : Vars->Coord_Number*Vars->Coord_Bin[i] vectors (intensity is not included) */ for (i= 1; i <= Vars->Coord_Number; i++) { j = Coord_Index[i]; if (j >= 0 && j < Vars->Coord_Bin[i]) { if (Vars->Flag_Multiple && Vars->Mon2D_N) { Vars->Mon2D_N[i-1][j]++; Vars->Mon2D_p[i-1][j] += pp; Vars->Mon2D_p2[i-1][j] += pp*pp; } } else if (Vars->Flag_Absorb) { pp=0; break; } } } /* end store 2D/1D */ } /* end while */ } /* end Force Get Limits */ /* write output files (sent to file as p[i*n + j] vectors) */ if (Vars->Coord_Number == 0) { double Nsum; double psum, p2sum; Nsum = Vars->Nsum; psum = Vars->psum; p2sum= Vars->p2sum; if (Vars->Flag_signal != DEFS->COORD_P && Nsum > 0) { psum /=Nsum; p2sum /= Nsum*Nsum; } /* DETECTOR_OUT_0D(Vars->Monitor_Label, Vars->Nsum, Vars->psum, Vars->p2sum); */ detector = mcdetector_out_0D(Vars->Monitor_Label, Nsum, psum, p2sum, Vars->compcurname, Vars->compcurpos,Vars->compcurrot,Vars->compcurindex); } else if (strlen(Vars->Mon_File) > 0) { fname = (char*)malloc(strlen(Vars->Mon_File)+10*Vars->Coord_Number); if (Vars->Flag_List && Vars->Mon2D_Buffer) /* List: DETECTOR_OUT_2D */ { if (Vars->Flag_List >= 2) Vars->Buffer_Size = Vars->Photon_Counter; if (Vars->Buffer_Size >= Vars->Photon_Counter) Vars->Buffer_Size = Vars->Photon_Counter; strcpy(fname,Vars->Mon_File); if (strchr(Vars->Mon_File,'.') == NULL) strcat(fname, "_list"); strcpy(Coord_X_Label,""); for (i= 0; i <= Vars->Coord_Number; i++) { strcat(Coord_X_Label, Vars->Coord_Var[i]); strcat(Coord_X_Label, " "); if (strchr(Vars->Mon_File,'.') == NULL) { strcat(fname, "."); strcat(fname, Vars->Coord_Var[i]); } } if (Vars->Flag_Verbose) printf("Monitor_nD: %s write monitor file %s List (%lix%li).\n", Vars->compcurname, fname,(long int)Vars->Photon_Counter,Vars->Coord_Number); /* handle the type of list output */ strcpy(label, Vars->Monitor_Label); detector = mcdetector_out_list( label, "List of photon events", Coord_X_Label, -Vars->Buffer_Size, Vars->Coord_Number+1, Vars->Mon2D_Buffer, fname, Vars->compcurname, Vars->compcurpos, Vars->compcurrot, Vars->option,Vars->compcurindex); } if (Vars->Flag_Multiple) /* n1D: DETECTOR_OUT_1D */ { for (i= 0; i < Vars->Coord_Number; i++) { strcpy(fname,Vars->Mon_File); if (strchr(Vars->Mon_File,'.') == NULL) { strcat(fname, "."); strcat(fname, Vars->Coord_Var[i+1]); } sprintf(Coord_X_Label, "%s monitor", Vars->Coord_Label[i+1]); strcpy(label, Coord_X_Label); if (Vars->Coord_Bin[i+1] > 0) { /* 1D monitor */ if (Vars->Flag_Verbose) printf("Monitor_nD: %s write monitor file %s 1D (%li).\n", Vars->compcurname, fname, Vars->Coord_Bin[i+1]); min1d = Vars->Coord_Min[i+1]; max1d = Vars->Coord_Max[i+1]; if (min1d == max1d) max1d = min1d+1e-6; p1m = (double *)malloc(Vars->Coord_Bin[i+1]*sizeof(double)); p2m = (double *)malloc(Vars->Coord_Bin[i+1]*sizeof(double)); if (p2m == NULL) /* use Raw Buffer line output */ { if (Vars->Flag_Verbose) printf("Monitor_nD: %s cannot allocate memory for output. Using raw data.\n", Vars->compcurname); if (p1m != NULL) free(p1m); detector = mcdetector_out_1D( label, Vars->Coord_Label[i+1], Vars->Coord_Label[0], Vars->Coord_Var[i+1], min1d, max1d, Vars->Coord_Bin[i+1], Vars->Mon2D_N[i],Vars->Mon2D_p[i],Vars->Mon2D_p2[i], fname, Vars->compcurname, Vars->compcurpos, Vars->compcurrot,Vars->compcurindex); } /* if (p2m == NULL) */ else { if (Vars->Flag_log != 0) { XY = FLT_MAX; for (j=0; j < Vars->Coord_Bin[i+1]; j++) /* search min of signal */ if ((XY > Vars->Mon2D_p[i][j]) && (Vars->Mon2D_p[i][j] > 0)) XY = Vars->Mon2D_p[i][j]; if (XY <= 0) XY = -log(FLT_MAX)/log(10); else XY = log(XY)/log(10)-1; } /* if */ for (j=0; j < Vars->Coord_Bin[i+1]; j++) { p1m[j] = Vars->Mon2D_p[i][j]; p2m[j] = Vars->Mon2D_p2[i][j]; if (Vars->Flag_signal != DEFS->COORD_P && Vars->Mon2D_N[i][j] > 0) { /* normalize mean signal to the number of events */ p1m[j] /= Vars->Mon2D_N[i][j]; p2m[j] /= Vars->Mon2D_N[i][j]*Vars->Mon2D_N[i][j]; } if (Vars->Flag_log != 0) { if ((p1m[j] > 0) && (p2m[j] > 0)) { p2m[j] /= p1m[j]*p1m[j]; p1m[j] = log(p1m[j])/log(10); } else { p1m[j] = XY; p2m[j] = 0; } } } /* for */ detector = mcdetector_out_1D( label, Vars->Coord_Label[i+1], Vars->Coord_Label[0], Vars->Coord_Var[i+1], min1d, max1d, Vars->Coord_Bin[i+1], Vars->Mon2D_N[i],p1m,p2m, fname, Vars->compcurname, Vars->compcurpos, Vars->compcurrot,Vars->compcurindex); } /* else */ /* comment out 'free memory' lines to avoid loosing arrays if 'detector' structure is used by other instrument parts if (p1m != NULL) free(p1m); p1m=NULL; if (p2m != NULL) free(p2m); p2m=NULL; */ } else { /* 0d monitor */ detector = mcdetector_out_0D(label, Vars->Mon2D_p[i][0], Vars->Mon2D_p2[i][0], Vars->Mon2D_N[i][0], Vars->compcurname, Vars->compcurpos, Vars->compcurrot,Vars->compcurindex); } } /* for */ } /* if 1D */ else if (Vars->Coord_NumberNoPixel == 2) /* 2D: DETECTOR_OUT_2D */ { strcpy(fname,Vars->Mon_File); p0m = (double *)malloc(Vars->Coord_Bin[1]*Vars->Coord_Bin[2]*sizeof(double)); p1m = (double *)malloc(Vars->Coord_Bin[1]*Vars->Coord_Bin[2]*sizeof(double)); p2m = (double *)malloc(Vars->Coord_Bin[1]*Vars->Coord_Bin[2]*sizeof(double)); if (p2m == NULL) { if (Vars->Flag_Verbose) printf("Monitor_nD: %s cannot allocate memory for 2D array (%li). Skipping.\n", Vars->compcurname, 3*Vars->Coord_Bin[1]*Vars->Coord_Bin[2]*sizeof(double)); /* comment out 'free memory' lines to avoid loosing arrays if 'detector' structure is used by other instrument parts if (p0m != NULL) free(p0m); if (p1m != NULL) free(p1m); */ } else { if (Vars->Flag_log != 0) { XY = FLT_MAX; for (i= 0; i < Vars->Coord_Bin[1]; i++) for (j= 0; j < Vars->Coord_Bin[2]; j++) /* search min of signal */ if ((XY > Vars->Mon2D_p[i][j]) && (Vars->Mon2D_p[i][j]>0)) XY = Vars->Mon2D_p[i][j]; if (XY <= 0) XY = -log(FLT_MAX)/log(10); else XY = log(XY)/log(10)-1; } for (i= 0; i < Vars->Coord_Bin[1]; i++) { for (j= 0; j < Vars->Coord_Bin[2]; j++) { long index; index = j + i*Vars->Coord_Bin[2]; p0m[index] = Vars->Mon2D_N[i][j]; p1m[index] = Vars->Mon2D_p[i][j]; p2m[index] = Vars->Mon2D_p2[i][j]; if (Vars->Flag_signal != DEFS->COORD_P && p0m[index] > 0) { p1m[index] /= p0m[index]; p2m[index] /= p0m[index]*p0m[index]; } if (Vars->Flag_log != 0) { if ((p1m[index] > 0) && (p2m[index] > 0)) { p2m[index] /= (p1m[index]*p1m[index]); p1m[index] = log(p1m[index])/log(10); } else { p1m[index] = XY; p2m[index] = 0; } } } } if (strchr(Vars->Mon_File,'.') == NULL) { strcat(fname, "."); strcat(fname, Vars->Coord_Var[1]); strcat(fname, "_"); strcat(fname, Vars->Coord_Var[2]); } if (Vars->Flag_Verbose) printf("Monitor_nD: %s write monitor file %s 2D (%lix%li).\n", Vars->compcurname, fname, Vars->Coord_Bin[1], Vars->Coord_Bin[2]); min1d = Vars->Coord_Min[1]; max1d = Vars->Coord_Max[1]; if (min1d == max1d) max1d = min1d+1e-6; min2d = Vars->Coord_Min[2]; max2d = Vars->Coord_Max[2]; if (min2d == max2d) max2d = min2d+1e-6; strcpy(label, Vars->Monitor_Label); if (Vars->Coord_Bin[1]*Vars->Coord_Bin[2] > 1 && Vars->Flag_signal == DEFS->COORD_P) strcat(label, " per bin"); if (Vars->Flag_List) { detector = mcdetector_out_2D_list( label, Vars->Coord_Label[1], Vars->Coord_Label[2], min1d, max1d, min2d, max2d, Vars->Coord_Bin[1], Vars->Coord_Bin[2], p0m,p1m,p2m, fname, Vars->compcurname, Vars->compcurpos, Vars->compcurrot,Vars->option,Vars->compcurindex); } else { detector = mcdetector_out_2D( label, Vars->Coord_Label[1], Vars->Coord_Label[2], min1d, max1d, min2d, max2d, Vars->Coord_Bin[1], Vars->Coord_Bin[2], p0m,p1m,p2m, fname, Vars->compcurname, Vars->compcurpos, Vars->compcurrot,Vars->compcurindex); } /* comment out 'free memory' lines to avoid loosing arrays if 'detector' structure is used by other instrument parts if (p0m != NULL) free(p0m); if (p1m != NULL) free(p1m); if (p2m != NULL) free(p2m); */ } } free(fname); } return(detector); } /* end Monitor_nD_Save */ /* ========================================================================= */ /* Monitor_nD_Finally: this routine is used to free memory */ /* ========================================================================= */ void Monitor_nD_Finally(MonitornD_Defines_type *DEFS, MonitornD_Variables_type *Vars) { int i; /* Now Free memory Mon2D.. */ if ((Vars->Flag_Auto_Limits || Vars->Flag_List) && Vars->Coord_Number) { /* Dim : (Vars->Coord_Number+1)*Vars->Buffer_Block matrix (for p, dp) */ if (Vars->Mon2D_Buffer != NULL) free(Vars->Mon2D_Buffer); } /* 1D and n1D case : Vars->Flag_Multiple */ if (Vars->Flag_Multiple && Vars->Coord_Number) { /* Dim : Vars->Coord_Number*Vars->Coord_Bin[i] vectors */ for (i= 0; i < Vars->Coord_Number; i++) { free(Vars->Mon2D_N[i]); free(Vars->Mon2D_p[i]); free(Vars->Mon2D_p2[i]); } free(Vars->Mon2D_N); free(Vars->Mon2D_p); free(Vars->Mon2D_p2); } /* 2D case : Vars->Coord_Number==2 and !Vars->Flag_Multiple and !Vars->Flag_List */ if ((Vars->Coord_NumberNoPixel == 2) && !Vars->Flag_Multiple) { /* Dim : Vars->Coord_Bin[1]*Vars->Coord_Bin[2] matrix */ for (i= 0; i < Vars->Coord_Bin[1]; i++) { free(Vars->Mon2D_N[i]); free(Vars->Mon2D_p[i]); free(Vars->Mon2D_p2[i]); } free(Vars->Mon2D_N); free(Vars->Mon2D_p); free(Vars->Mon2D_p2); } } /* end Monitor_nD_Finally */ /* ========================================================================= */ /* Monitor_nD_McDisplay: this routine is used to display component */ /* ========================================================================= */ void Monitor_nD_McDisplay(MonitornD_Defines_type *DEFS, MonitornD_Variables_type *Vars) { double radius, h; double xmin; double xmax; double ymin; double ymax; double zmin; double zmax; int i; double hdiv_min=-180, hdiv_max=180, vdiv_min=-90, vdiv_max=90; char restricted = 0; radius = Vars->Sphere_Radius; h = Vars->Cylinder_Height; xmin = Vars->mxmin; xmax = Vars->mxmax; ymin = Vars->mymin; ymax = Vars->mymax; zmin = Vars->mzmin; zmax = Vars->mzmax; /* determine if there are angular limits set at start (no auto) in coord_types * cylinder/banana: look for hdiv * sphere: look for angle, radius (->atan2(val,radius)), hdiv, vdiv * this activates a 'restricted' flag, to draw a region as blades on cylinder/sphere */ for (i= 0; i <= Vars->Coord_Number; i++) { int Set_Vars_Coord_Type; Set_Vars_Coord_Type = (Vars->Coord_Type[i] & (DEFS->COORD_LOG-1)); if (Set_Vars_Coord_Type == DEFS->COORD_HDIV || Set_Vars_Coord_Type == DEFS->COORD_THETA) { hdiv_min = Vars->Coord_Min[i]; hdiv_max = Vars->Coord_Max[i]; restricted = 1; } else if (Set_Vars_Coord_Type == DEFS->COORD_VDIV || Set_Vars_Coord_Type == DEFS->COORD_PHI) { vdiv_min = Vars->Coord_Min[i]; vdiv_max = Vars->Coord_Max[i];restricted = 1; } else if (Set_Vars_Coord_Type == DEFS->COORD_ANGLE) { hdiv_min = vdiv_min = Vars->Coord_Min[i]; hdiv_max = vdiv_max = Vars->Coord_Max[i]; restricted = 1; } else if (Set_Vars_Coord_Type == DEFS->COORD_RADIUS) { double angle; angle = RAD2DEG*atan2(Vars->Coord_Max[i], radius); hdiv_min = vdiv_min = angle; hdiv_max = vdiv_max = angle; restricted = 1; } else if (Set_Vars_Coord_Type == DEFS->COORD_Y && abs(Vars->Flag_Shape) == DEFS->SHAPE_SPHERE) { vdiv_min = atan2(ymin,radius)*RAD2DEG; vdiv_max = atan2(ymax,radius)*RAD2DEG; restricted = 1; } } /* full sphere */ if ((!restricted && (abs(Vars->Flag_Shape) == DEFS->SHAPE_SPHERE)) || abs(Vars->Flag_Shape) == DEFS->SHAPE_PREVIOUS) { mcdis_magnify(""); mcdis_circle("xy",0,0,0,radius); mcdis_circle("xz",0,0,0,radius); mcdis_circle("yz",0,0,0,radius); } /* banana/cylinder/sphere portion */ else if (restricted && ((abs(Vars->Flag_Shape) == DEFS->SHAPE_CYLIND) || (abs(Vars->Flag_Shape) == DEFS->SHAPE_BANANA) || (abs(Vars->Flag_Shape) == DEFS->SHAPE_SPHERE))) { int NH=24, NV=24; int ih, iv; double width, height; int issphere; issphere = (abs(Vars->Flag_Shape) == DEFS->SHAPE_SPHERE); width = (hdiv_max-hdiv_min)/NH; if (!issphere) { NV=1; /* cylinder has vertical axis */ } height= (vdiv_max-vdiv_min)/NV; /* check width and height of elements (sphere) to make sure the nb of plates remains limited */ if (width < 10 && NH > 1) { width = 10; NH=(hdiv_max-hdiv_min)/width; width=(hdiv_max-hdiv_min)/NH; } if (height < 10 && NV > 1) { height = 10; NV=(vdiv_max-vdiv_min)/height; height= (vdiv_max-vdiv_min)/NV; } mcdis_magnify("xyz"); for(ih = 0; ih < NH; ih++) for(iv = 0; iv < NV; iv++) { double theta0, phi0, theta1, phi1; /* angles in spherical coordinates */ double x0,y0=0,z0,x1,y1=0,z1,x2,y2,z2,x3,y3,z3; /* vertices at plate edges */ phi0 = (hdiv_min+ width*ih-90)*DEG2RAD; /* in xz plane */ phi1 = (hdiv_min+ width*(ih+1)-90)*DEG2RAD; if (issphere) { theta0= (vdiv_min+height* iv + 90) *DEG2RAD; /* in vertical plane */ theta1= (vdiv_min+height*(iv+1) + 90)*DEG2RAD; if (y0 < ymin) y0=ymin; if (y0 > ymax) y0=ymax; if (y1 < ymin) y1=ymin; if (y1 > ymax) y1=ymax; y0 = -radius*cos(theta0); /* z with Z vertical */ y1 = -radius*cos(theta1); if (y0 < ymin) y0=ymin; if (y0 > ymax) y0=ymax; if (y1 < ymin) y1=ymin; if (y1 > ymax) y1=ymax; } else { y0 = ymin; y1 = ymax; theta0=theta1=90*DEG2RAD; } x0 = radius*sin(theta0)*cos(phi0); /* x with Z vertical */ z0 =-radius*sin(theta0)*sin(phi0); /* y with Z vertical */ x1 = radius*sin(theta1)*cos(phi0); z1 =-radius*sin(theta1)*sin(phi0); x2 = radius*sin(theta1)*cos(phi1); z2 =-radius*sin(theta1)*sin(phi1); x3 = radius*sin(theta0)*cos(phi1); z3 =-radius*sin(theta0)*sin(phi1); y2 = y1; y3 = y0; mcdis_multiline(5, x0,y0,z0, x1,y1,z1, x2,y2,z2, x3,y3,z3, x0,y0,z0); } } /* disk (circle) */ else if (abs(Vars->Flag_Shape) == DEFS->SHAPE_DISK) { mcdis_magnify(""); mcdis_circle("xy",0,0,0,radius); } /* rectangle (square) */ else if (abs(Vars->Flag_Shape) == DEFS->SHAPE_SQUARE) { mcdis_magnify("xy"); mcdis_multiline(5, (double)xmin, (double)ymin, 0.0, (double)xmax, (double)ymin, 0.0, (double)xmax, (double)ymax, 0.0, (double)xmin, (double)ymax, 0.0, (double)xmin, (double)ymin, 0.0); } /* full cylinder/banana */ else if (!restricted && ((abs(Vars->Flag_Shape) == DEFS->SHAPE_CYLIND) || (abs(Vars->Flag_Shape) == DEFS->SHAPE_BANANA))) { mcdis_magnify("xyz"); mcdis_circle("xz", 0, h/2.0, 0, radius); mcdis_circle("xz", 0, -h/2.0, 0, radius); mcdis_line(-radius, -h/2.0, 0, -radius, +h/2.0, 0); mcdis_line(+radius, -h/2.0, 0, +radius, +h/2.0, 0); mcdis_line(0, -h/2.0, -radius, 0, +h/2.0, -radius); mcdis_line(0, -h/2.0, +radius, 0, +h/2.0, +radius); } else /* box */ if (abs(Vars->Flag_Shape) == DEFS->SHAPE_BOX) { mcdis_magnify("xyz"); mcdis_multiline(5, xmin, ymin, zmin, xmax, ymin, zmin, xmax, ymax, zmin, xmin, ymax, zmin, xmin, ymin, zmin); mcdis_multiline(5, xmin, ymin, zmax, xmax, ymin, zmax, xmax, ymax, zmax, xmin, ymax, zmax, xmin, ymin, zmax); mcdis_line(xmin, ymin, zmin, xmin, ymin, zmax); mcdis_line(xmax, ymin, zmin, xmax, ymin, zmax); mcdis_line(xmin, ymax, zmin, xmin, ymax, zmax); mcdis_line(xmax, ymax, zmin, xmax, ymax, zmax); } } /* end Monitor_nD_McDisplay */ /* end of monitor_nd-lib.c */ /* Shared user declarations for all components types 'Fluorescence'. */ // for OFF/PLY geometry #ifndef FLUORESCENCE_DECL #define FLUORESCENCE_DECL // WARNING: mush NOT use rand01 calls here, as they depend on _particle #define XRAYLIB_LINES_MAX 383 #define FLUORESCENCE 0 // Fluo #define RAYLEIGH 1 // Coherent #define COMPTON 2 // Incoherent #define DIFFRACTION 3 // diffraction #define TRANSMISSION 4 #include /* See XrayLib code (c) T. Schoonjans * /usr/include/xraylib/xraylib-parser.h for compoundData * /usr/include/xraylib/xraylib.h for XS */ /* inspired from: * https://github.com/golosio/xrmc src/photon/photon.cpp (c) Bruno Golosio */ /* XRMC_CrossSections: Compute interaction cross sections in [barn/atom] * When kissel=1, M-lines are computed, but computation is 10x slower. * Computes xs[FLUORESCENCE,RAYLEIGH,COMPTON] that must have been allocated. * Return total cross section, given Z and E0: * total_xs = XRMC_CrossSections(Z, E0, xs[3], flag_kissel); */ double XRMC_CrossSections(int Z, double E0, double *xs, int kissel) { int i_line; if (xs == NULL) return 0; for(i_line=0; i_line<=COMPTON; i_line++) xs[i_line]=0; // loop on possible fluorescence lines for (i_line=0; i_line= 50 ? CSb_FluorLine_Kissel(Z, -i_line, E0, NULL) /* XRayLib lines are negative integers */ : CSb_FluorLine(Z, -i_line, E0, NULL); } // coherent and incoherent cross sections xs[RAYLEIGH] = CSb_Rayl( Z, E0, NULL); xs[COMPTON] = CSb_Compt(Z, E0, NULL); // total interaction cross section, should converge to CSb_Total(Z, E0, NULL) return xs[FLUORESCENCE] + xs[RAYLEIGH] + xs[COMPTON]; } // XRMC_CrossSections /* XRMC_SelectFromDistribution: select a random element from a distribution * index = XRMC_SelectFromDistribution(cum_sum[N], N); * index is returned within 0 and N-1 * The x_arr must be a continuously increasing cumulated sum, which last element is the max. */ int XRMC_SelectFromDistribution(double x_arr[], int N, double r) { if (x_arr == NULL || N <=0) return (0); double x = r*x_arr[N-1]; // the threshold cumulated value to search in distribution if (x=x_arr[N-1]) { // x is greater or equal to upper limit return N-1; } int id=0, iu=N-1; // lower and upper index of the subarray to search while (iu-id>1) { // search until the size of the subarray to search is >1 int im = (id + iu)/2; // use the midpoint for equal partition // decide which subarray to search if (x>=x_arr[im]) id=im; // change min index to search upper subarray else iu=im; // change max index to search lower subarray } return id; } // XRMC_SelectFromDistribution /* XRMC_SelectInteraction: select interaction type Fluo/Compton/Rayleigh * Return the interaction type from a random choice within cross sections 'xs' * type = XRMC_SelectInteraction(xs[3], 3); * 'xs' is computed with XRMC_CrossSections. Can be unsorted. * type is e.g. one of FLUORESCENCE | RAYLEIGH | COMPTON */ int XRMC_SelectInteraction(double *xs, int nb_processes, double r) { double sum_xs, *cum_xs; int i; if (xs == NULL || nb_processes < 1) return 0; cum_xs = malloc((nb_processes+1)*sizeof(double)); if (!cum_xs) return 0; cum_xs[0]=sum_xs=0; for (i=0; i< nb_processes; i++) { sum_xs += xs[i]; cum_xs[i+1]= sum_xs; } i = XRMC_SelectFromDistribution(cum_xs, nb_processes+1, r); free(cum_xs); return i; } // XRMC_SelectInteraction /* XRMC_SelectFluorescenceEnergy: select outgoing fluo photon energy, when incoming with 'E0' * When kissel=1, M-lines are included, but computation is 10x slower * Ef = XRMC_SelectFluorescenceEnergy(Z, E0, &dE, kissel); */ double XRMC_SelectFluorescenceEnergy(int Z, double E0, double *dE, int kissel, double r) { int i_line; double sum_xs, cum_xs_lines[XRAYLIB_LINES_MAX+1]; // compute cumulated XS for all fluo lines cum_xs_lines[0] = sum_xs = 0; for (i_line=0; i_line= 50 ? CSb_FluorLine_Kissel(Z, -i_line, E0, NULL) /* XRayLib lines are negative integers */ : CSb_FluorLine(Z, -i_line, E0, NULL); // when a line is inactive: E=xs=0 sum_xs += xs; cum_xs_lines[i_line+1] = sum_xs; // cumulative sum of their cross sections } // select randomly one of these lines i_line = XRMC_SelectFromDistribution(cum_xs_lines, XRAYLIB_LINES_MAX, r); // extract a line // get the K shell line width as approximation of fluorescence line width if (dE) *dE = AtomicLevelWidth(Z, K_SHELL, NULL); // keV, full-width in keV return LineEnergy(Z, -i_line, NULL); // fluorescent line energy } // XRMC_SelectFluorescenceEnergy // Function removing spaces from string char * removeSpacesFromStr(char *string) { // non_space_count to keep the frequency of non space characters int non_space_count = 0; if (string == NULL) return NULL; //Traverse a string and if it is non space character then, place it at index non_space_count for (int i = 0; string[i] != '\0'; i++) { if (isalpha(string[i]) || isdigit(string[i])) { string[non_space_count] = string[i]; non_space_count++; //non_space_count incremented } } //Finally placing final character at the string end string[non_space_count] = '\0'; return string; } // ok = fluo_get_material(material, formula) // extracts material atoms from file header // the result is concatenated into 'formula' int fluo_get_material(char *filename, char *formula) { int ret = 0; char Line[65535]; int flag_found_cif=0; if (filename == NULL || formula == NULL) return (0); FILE *file = Open_File(filename, "r", NULL); if (!file) exit(fprintf(stderr, "%s: ERROR: can not open file %s\n", __FILE__, filename)); // Read the file, and search tokens in rows formula[0]=0; while (fgets(Line, sizeof(Line), file) != NULL) { char *token = NULL; int flag_exit=0; char *first_non_space=NULL; char *next_non_space =NULL; // CIF: _chemical_formula_structural 'chemical_formulae' // CIF: _chemical_formula_sum 'chemical_formulae' // LAZ/LAU: # ATOM // LAZ/LAU: # Atom // LAZ/LAU: # TITLE ... [ trailing...] // CFL: Title // CFL: Atom // search for CIF token // single line: search " '\'" delimiter after CIF token, marks reading the formula if (!strncasecmp(Line, "_chemical_formula_structural", 28) || !strncasecmp(Line, "_chemical_formula_sum", 21) || !strncasecmp(Line, "_chemical_formula_moiety", 24) || flag_found_cif) { if (flag_found_cif) { flag_found_cif=0; /* can not span on more that 2 lines */} else flag_found_cif=1; // search for delimiter after the CIF token char *first_space_after_token=strpbrk(Line, " \'\n"); if (first_space_after_token) { // search for the characters that may compose the formula first_non_space = strpbrk(first_space_after_token, "ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789()[]"); if (strchr(first_space_after_token,'?')) { // we have an invalid/unknown formula in the CIF. Skip CIF token/line flag_found_cif=0; continue; } } if (first_non_space) next_non_space = strpbrk(first_non_space+1, "\'\n\r"); // position of formula end if (next_non_space) { flag_exit = 1; token = first_non_space; } } else if (!strncasecmp(Line, "# TITLE", 7) && strchr(Line, '[')) token = Line+7; else if (!strncasecmp(Line, "# Atom", 6)) token = Line+6; else if (!strncasecmp(Line, "Atom", 4)) token = Line+4; else if (!strncasecmp(Line, "Title", 5)) token = Line+7; if (!token) continue; if (!strncasecmp(Line, "# TITLE", 7)) { first_non_space = Line+7; next_non_space = strchr(Line+7, '['); if (next_non_space) flag_exit = 1; } if (!first_non_space) first_non_space = strtok(token, " \t\n"); if (!first_non_space) continue; if (!next_non_space) next_non_space = strtok(NULL, " \t\n"); // end of formulae if (!next_non_space) next_non_space = Line+strlen(Line); // remove spaces strncat(formula, first_non_space, next_non_space-first_non_space); ret++; if (flag_exit) break; } fclose(file); removeSpacesFromStr(formula); return(ret); } // fluo_get_material #endif // FLUORESCENCE_DECL /* ************************************************************************** */ /* End of SHARE user declarations for all components */ /* ************************************************************************** */ /* ********************** component definition declarations. **************** */ /* component Origin=Progress_bar() [1] DECLARE */ /* Parameter definition for component type 'Progress_bar' */ struct _struct_Progress_bar_parameters { /* Component type 'Progress_bar' setting parameters */ char profile[16384]; MCNUM percent; MCNUM flag_save; MCNUM minutes; /* Component type 'Progress_bar' private parameters */ double IntermediateCnts; time_t StartTime; time_t EndTime; time_t CurrentTime; char infostring[64]; }; /* _struct_Progress_bar_parameters */ typedef struct _struct_Progress_bar_parameters _class_Progress_bar_parameters; /* Parameters for component type 'Progress_bar' */ struct _struct_Progress_bar { char _name[256]; /* e.g. Origin */ char _type[256]; /* Progress_bar */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Progress_bar_parameters _parameters; }; typedef struct _struct_Progress_bar _class_Progress_bar; _class_Progress_bar _Origin_var; #pragma acc declare create ( _Origin_var ) /* component Source=Bending_magnet() [2] DECLARE */ /* Parameter definition for component type 'Bending_magnet' */ struct _struct_Bending_magnet_parameters { /* Component type 'Bending_magnet' setting parameters */ MCNUM E0; MCNUM dE; MCNUM lambda0; MCNUM dlambda; MCNUM phase; MCNUM randomphase; MCNUM Ee; MCNUM Ie; MCNUM B; MCNUM sigey; MCNUM sigex; MCNUM focus_xw; MCNUM focus_yh; MCNUM dist; MCNUM gauss_t; /* Component type 'Bending_magnet' private parameters */ double gamma; double gamma2; double igamma; double kc; double s1x; double s1y; double p0; }; /* _struct_Bending_magnet_parameters */ typedef struct _struct_Bending_magnet_parameters _class_Bending_magnet_parameters; /* Parameters for component type 'Bending_magnet' */ struct _struct_Bending_magnet { char _name[256]; /* e.g. Source */ char _type[256]; /* Bending_magnet */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Bending_magnet_parameters _parameters; }; typedef struct _struct_Bending_magnet _class_Bending_magnet; _class_Bending_magnet _Source_var; #pragma acc declare create ( _Source_var ) /* component slit1=Slit() [3] DECLARE */ /* Parameter definition for component type 'Slit' */ struct _struct_Slit_parameters { /* Component type 'Slit' setting parameters */ MCNUM xmin; MCNUM xmax; MCNUM ymin; MCNUM ymax; MCNUM radius; MCNUM xwidth; MCNUM yheight; MCNUM dist; MCNUM focus_xw; MCNUM focus_yh; MCNUM focus_x0; MCNUM focus_y0; }; /* _struct_Slit_parameters */ typedef struct _struct_Slit_parameters _class_Slit_parameters; /* Parameters for component type 'Slit' */ struct _struct_Slit { char _name[256]; /* e.g. slit1 */ char _type[256]; /* Slit */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Slit_parameters _parameters; }; typedef struct _struct_Slit _class_Slit; _class_Slit _slit1_var; #pragma acc declare create ( _slit1_var ) _class_Slit _slit2_var; #pragma acc declare create ( _slit2_var ) /* component mirror_m1=Mirror_toroid_pothole() [5] DECLARE */ /* Parameter definition for component type 'Mirror_toroid_pothole' */ struct _struct_Mirror_toroid_pothole_parameters { /* Component type 'Mirror_toroid_pothole' setting parameters */ MCNUM zdepth; MCNUM xwidth; MCNUM radius; MCNUM radius_o; MCNUM R0; char coating[16384]; /* Component type 'Mirror_toroid_pothole' private parameters */ struct potholestruct prms; t_Table reflec_table; t_Reflec re; }; /* _struct_Mirror_toroid_pothole_parameters */ typedef struct _struct_Mirror_toroid_pothole_parameters _class_Mirror_toroid_pothole_parameters; /* Parameters for component type 'Mirror_toroid_pothole' */ struct _struct_Mirror_toroid_pothole { char _name[256]; /* e.g. mirror_m1 */ char _type[256]; /* Mirror_toroid_pothole */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Mirror_toroid_pothole_parameters _parameters; }; typedef struct _struct_Mirror_toroid_pothole _class_Mirror_toroid_pothole; _class_Mirror_toroid_pothole _mirror_m1_var; #pragma acc declare create ( _mirror_m1_var ) /* component mirror_m1_out=Arm() [6] DECLARE */ /* Parameter definition for component type 'Arm' */ struct _struct_Arm_parameters { char Arm_has_no_parameters; }; /* _struct_Arm_parameters */ typedef struct _struct_Arm_parameters _class_Arm_parameters; /* Parameters for component type 'Arm' */ struct _struct_Arm { char _name[256]; /* e.g. mirror_m1_out */ char _type[256]; /* Arm */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Arm_parameters _parameters; }; typedef struct _struct_Arm _class_Arm; _class_Arm _mirror_m1_out_var; #pragma acc declare create ( _mirror_m1_out_var ) /* component slit3_xy=PSD_monitor() [7] DECLARE */ /* Parameter definition for component type 'PSD_monitor' */ struct _struct_PSD_monitor_parameters { /* Component type 'PSD_monitor' setting parameters */ char filename[16384]; MCNUM xwidth; MCNUM yheight; MCNUM radius; MCNUM restore_xray; int nowritefile; int nx; int ny; int nr; /* Component type 'PSD_monitor' private parameters */ DArray2d PSD_N; DArray2d PSD_p; DArray2d PSD_p2; double xmin; double xmax; double ymin; double ymax; }; /* _struct_PSD_monitor_parameters */ typedef struct _struct_PSD_monitor_parameters _class_PSD_monitor_parameters; /* Parameters for component type 'PSD_monitor' */ struct _struct_PSD_monitor { char _name[256]; /* e.g. slit3_xy */ char _type[256]; /* PSD_monitor */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_PSD_monitor_parameters _parameters; }; typedef struct _struct_PSD_monitor _class_PSD_monitor; _class_PSD_monitor _slit3_xy_var; #pragma acc declare create ( _slit3_xy_var ) /* component slit3_div=Divergence_monitor() [8] DECLARE */ /* Parameter definition for component type 'Divergence_monitor' */ struct _struct_Divergence_monitor_parameters { /* Component type 'Divergence_monitor' setting parameters */ int nh; int nv; int rad; char filename[16384]; MCNUM xwidth; MCNUM yheight; MCNUM maxdiv_h; MCNUM maxdiv_v; MCNUM restore_xray; MCNUM nx; MCNUM ny; MCNUM nz; int nowritefile; /* Component type 'Divergence_monitor' private parameters */ DArray2d Div_N; DArray2d Div_p; DArray2d Div_p2; double xmin; double xmax; double ymin; double ymax; }; /* _struct_Divergence_monitor_parameters */ typedef struct _struct_Divergence_monitor_parameters _class_Divergence_monitor_parameters; /* Parameters for component type 'Divergence_monitor' */ struct _struct_Divergence_monitor { char _name[256]; /* e.g. slit3_div */ char _type[256]; /* Divergence_monitor */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Divergence_monitor_parameters _parameters; }; typedef struct _struct_Divergence_monitor _class_Divergence_monitor; _class_Divergence_monitor _slit3_div_var; #pragma acc declare create ( _slit3_div_var ) _class_Slit _slit3_var; #pragma acc declare create ( _slit3_var ) /* component mirror_m2a=Mirror() [10] DECLARE */ /* Parameter definition for component type 'Mirror' */ struct _struct_Mirror_parameters { /* Component type 'Mirror' setting parameters */ MCNUM zdepth; MCNUM xwidth; MCNUM yheight; char coating[16384]; MCNUM R0; char geometry[16384]; /* Component type 'Mirror' private parameters */ t_Reflec re; off_struct offdata; int shape; }; /* _struct_Mirror_parameters */ typedef struct _struct_Mirror_parameters _class_Mirror_parameters; /* Parameters for component type 'Mirror' */ struct _struct_Mirror { char _name[256]; /* e.g. mirror_m2a */ char _type[256]; /* Mirror */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Mirror_parameters _parameters; }; typedef struct _struct_Mirror _class_Mirror; _class_Mirror _mirror_m2a_var; #pragma acc declare create ( _mirror_m2a_var ) _class_Arm _mirror_m2a_out_var; #pragma acc declare create ( _mirror_m2a_out_var ) _class_PSD_monitor _slit4_in_var; #pragma acc declare create ( _slit4_in_var ) _class_Slit _slit4_var; #pragma acc declare create ( _slit4_var ) _class_Arm _arm_crystal0_var; #pragma acc declare create ( _arm_crystal0_var ) /* component bragg_crystal=Bragg_crystal() [15] DECLARE */ /* Parameter definition for component type 'Bragg_crystal' */ struct _struct_Bragg_crystal_parameters { /* Component type 'Bragg_crystal' setting parameters */ MCNUM length; MCNUM width; MCNUM V; char form_factors[16384]; char material[16384]; MCNUM alpha; MCNUM R0; MCNUM debye_waller_B; int crystal_type; int h; int k; int l; MCNUM structure_factor_scale_r; MCNUM structure_factor_scale_i; /* Component type 'Bragg_crystal' private parameters */ int Z; double rho; double At; double f_rel; double f_nt; t_Table m_t; t_Table f0_t; }; /* _struct_Bragg_crystal_parameters */ typedef struct _struct_Bragg_crystal_parameters _class_Bragg_crystal_parameters; /* Parameters for component type 'Bragg_crystal' */ struct _struct_Bragg_crystal { char _name[256]; /* e.g. bragg_crystal */ char _type[256]; /* Bragg_crystal */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Bragg_crystal_parameters _parameters; }; typedef struct _struct_Bragg_crystal _class_Bragg_crystal; _class_Bragg_crystal _bragg_crystal_var; #pragma acc declare create ( _bragg_crystal_var ) _class_Arm _arm_crystal1_var; #pragma acc declare create ( _arm_crystal1_var ) _class_Bragg_crystal _bragg_crystal_two_var; #pragma acc declare create ( _bragg_crystal_two_var ) _class_Arm _arm_crystal2_var; #pragma acc declare create ( _arm_crystal2_var ) _class_PSD_monitor _bragg_crystal_out_var; #pragma acc declare create ( _bragg_crystal_out_var ) _class_Slit _slit5_var; #pragma acc declare create ( _slit5_var ) _class_Slit _slit6_var; #pragma acc declare create ( _slit6_var ) /* component mirror_m2b=Mirror_curved() [22] DECLARE */ /* Parameter definition for component type 'Mirror_curved' */ struct _struct_Mirror_curved_parameters { /* Component type 'Mirror_curved' setting parameters */ MCNUM radius; MCNUM R0; char coating[16384]; MCNUM zdepth; MCNUM yheight; MCNUM length; MCNUM width; /* Component type 'Mirror_curved' private parameters */ int Z; double At; double rho; t_Table T; t_Reflec re; }; /* _struct_Mirror_curved_parameters */ typedef struct _struct_Mirror_curved_parameters _class_Mirror_curved_parameters; /* Parameters for component type 'Mirror_curved' */ struct _struct_Mirror_curved { char _name[256]; /* e.g. mirror_m2b */ char _type[256]; /* Mirror_curved */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Mirror_curved_parameters _parameters; }; typedef struct _struct_Mirror_curved _class_Mirror_curved; _class_Mirror_curved _mirror_m2b_var; #pragma acc declare create ( _mirror_m2b_var ) _class_Arm _mirror_m2b_out_var; #pragma acc declare create ( _mirror_m2b_out_var ) /* component EnergyMonitor_before_sample=Monitor_nD() [24] DECLARE */ /* Parameter definition for component type 'Monitor_nD' */ struct _struct_Monitor_nD_parameters { /* Component type 'Monitor_nD' setting parameters */ char user1[16384]; char user2[16384]; char user3[16384]; MCNUM xwidth; MCNUM yheight; MCNUM zdepth; MCNUM bins; MCNUM min; MCNUM max; MCNUM restore_xray; MCNUM radius; char options[16384]; char filename[16384]; char geometry[16384]; int nowritefile; char username1[16384]; char username2[16384]; char username3[16384]; /* Component type 'Monitor_nD' private parameters */ MonitornD_Defines_type DEFS; MonitornD_Variables_type Vars; MCDETECTOR detector; off_struct offdata; }; /* _struct_Monitor_nD_parameters */ typedef struct _struct_Monitor_nD_parameters _class_Monitor_nD_parameters; /* Parameters for component type 'Monitor_nD' */ struct _struct_Monitor_nD { char _name[256]; /* e.g. EnergyMonitor_before_sample */ char _type[256]; /* Monitor_nD */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Monitor_nD_parameters _parameters; }; typedef struct _struct_Monitor_nD _class_Monitor_nD; _class_Monitor_nD _EnergyMonitor_before_sample_var; #pragma acc declare create ( _EnergyMonitor_before_sample_var ) _class_Monitor_nD _e_repartition_after_m2b_var; #pragma acc declare create ( _e_repartition_after_m2b_var ) _class_PSD_monitor _sample_in_var; #pragma acc declare create ( _sample_in_var ) /* component absorption_sample=Fluorescence() [27] DECLARE */ /* Parameter definition for component type 'Fluorescence' */ struct _struct_Fluorescence_parameters { /* Component type 'Fluorescence' setting parameters */ char geometry[16384]; MCNUM radius; MCNUM thickness; MCNUM xwidth; MCNUM yheight; MCNUM zdepth; int concentric; char material[16384]; MCNUM packing_factor; MCNUM rho; MCNUM density; MCNUM weight; MCNUM p_interact; MCNUM target_x; MCNUM target_y; MCNUM target_z; MCNUM focus_r; MCNUM focus_xw; MCNUM focus_yh; MCNUM focus_aw; MCNUM focus_ah; int target_index; int flag_compton; int flag_rayleigh; int flag_lorentzian; int flag_kissel; int flag_low_z; int order; /* Component type 'Fluorescence' private parameters */ struct compoundData * compound; DArray1d cum_massFractions; DArray1d cum_xs_fluo; DArray1d cum_xs_Compton; DArray1d cum_xs_Rayleigh; DArray1d xs_fluo; DArray1d xs_Compton; DArray1d xs_Rayleigh; int shape; off_struct offdata; int n_fluo; int n_Compton; int n_Rayleigh; double p_fluo; double p_Compton; double p_Rayleigh; int reuse_nb; int reuse_intersect; double reuse_ki; double reuse_l0; double reuse_l1; double reuse_l2; double reuse_l3; double reuse_sigma_barn; DArray1d reuse_cum_xs_fluo; DArray1d reuse_cum_xs_Compton; DArray1d reuse_cum_xs_Rayleigh; DArray1d reuse_xs_fluo; DArray1d reuse_xs_Compton; DArray1d reuse_xs_Rayleigh; }; /* _struct_Fluorescence_parameters */ typedef struct _struct_Fluorescence_parameters _class_Fluorescence_parameters; /* Parameters for component type 'Fluorescence' */ struct _struct_Fluorescence { char _name[256]; /* e.g. absorption_sample */ char _type[256]; /* Fluorescence */ long _index; /* e.g. 2 index in TRACE list */ Coords _position_absolute; Coords _position_relative; /* wrt PREVIOUS */ Rotation _rotation_absolute; Rotation _rotation_relative; /* wrt PREVIOUS */ int _rotation_is_identity; int _position_relative_is_zero; _class_Fluorescence_parameters _parameters; }; typedef struct _struct_Fluorescence _class_Fluorescence; _class_Fluorescence _absorption_sample_var; #pragma acc declare create ( _absorption_sample_var ) _class_Monitor_nD _fluo_monitor_var; #pragma acc declare create ( _fluo_monitor_var ) _class_Monitor_nD _EnergyMonitor_after_sample_var; #pragma acc declare create ( _EnergyMonitor_after_sample_var ) _class_PSD_monitor _psd_monitor_var; #pragma acc declare create ( _psd_monitor_var ) int mcNUMCOMP = 30; /* User declarations from instrument definition. Can define functions. */ double calculated_angle; double Eminkev; double Emaxkev; double incr; int n; int i_h; int i_k; int i_l; double length_first_crystal; double length_second_crystal; double center_first_crystal; double dist_center_to_center; double center_to_c_mono_angle; char e_repartition_options[512]; double I_err_calc; double absorption_coefficient; double absorption_coefficient_error; double number_events_after_sample; #undef compcurname #undef compcurtype #undef compcurindex /* end of instrument 'SOLEIL_ROCK' and components DECLARE */ /* ***************************************************************************** * instrument 'SOLEIL_ROCK' and components INITIALISE ***************************************************************************** */ double index_getdistance(int first_index, int second_index) /* Calculate the distance two components from their indexes*/ { return coords_len(coords_sub(POS_A_COMP_INDEX(first_index), POS_A_COMP_INDEX(second_index))); } double getdistance(char* first_component, char* second_component) /* Calculate the distance between two named components */ { int first_index = _getcomp_index(first_component); int second_index = _getcomp_index(second_component); return index_getdistance(first_index, second_index); } double checked_setpos_getdistance(int current_index, char* first_component, char* second_component) /* Calculate the distance between two named components at *_setpos() time, with component index checking */ { int first_index = _getcomp_index(first_component); int second_index = _getcomp_index(second_component); if (first_index >= current_index || second_index >= current_index) { printf("setpos_getdistance can only be used with the names of components before the current one!\n"); return 0; } return index_getdistance(first_index, second_index); } #define setpos_getdistance(first, second) checked_setpos_getdistance(current_setpos_index, first, second) /* component Origin=Progress_bar() SETTING, POSITION/ROTATION */ int _Origin_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_Origin_setpos] component Origin=Progress_bar() SETTING [Progress_bar:0]"); stracpy(_Origin_var._name, "Origin", 16384); stracpy(_Origin_var._type, "Progress_bar", 16384); _Origin_var._index=1; int current_setpos_index = 1; if("NULL" && strlen("NULL")) stracpy(_Origin_var._parameters.profile, "NULL" ? "NULL" : "", 16384); else _Origin_var._parameters.profile[0]='\0'; _Origin_var._parameters.percent = 10; _Origin_var._parameters.flag_save = 0; _Origin_var._parameters.minutes = 0; /* component Origin=Progress_bar() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(_Origin_var._rotation_absolute, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_copy(_Origin_var._rotation_relative, _Origin_var._rotation_absolute); _Origin_var._rotation_is_identity = rot_test_identity(_Origin_var._rotation_relative); _Origin_var._position_absolute = coords_set( 0, 0, 0); tc1 = coords_neg(_Origin_var._position_absolute); _Origin_var._position_relative = rot_apply(_Origin_var._rotation_absolute, tc1); } /* Origin=Progress_bar() AT ROTATED */ DEBUG_COMPONENT("Origin", _Origin_var._position_absolute, _Origin_var._rotation_absolute); instrument->_position_absolute[1] = _Origin_var._position_absolute; instrument->_position_relative[1] = _Origin_var._position_relative; _Origin_var._position_relative_is_zero = coords_test_zero(_Origin_var._position_relative); instrument->counter_N[1] = instrument->counter_P[1] = instrument->counter_P2[1] = 0; instrument->counter_AbsorbProp[1]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0000_Origin", _Origin_var._position_absolute, _Origin_var._rotation_absolute, "Progress_bar"); mccomp_param_nexus(nxhandle,"0000_Origin", "profile", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0000_Origin", "percent", "10", "10","MCNUM"); mccomp_param_nexus(nxhandle,"0000_Origin", "flag_save", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0000_Origin", "minutes", "0", "0","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _Origin_setpos */ /* component Source=Bending_magnet() SETTING, POSITION/ROTATION */ int _Source_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_Source_setpos] component Source=Bending_magnet() SETTING [Bending_magnet:0]"); stracpy(_Source_var._name, "Source", 16384); stracpy(_Source_var._type, "Bending_magnet", 16384); _Source_var._index=2; int current_setpos_index = 2; _Source_var._parameters.E0 = _instrument_var._parameters.E0; _Source_var._parameters.dE = _instrument_var._parameters.dE; _Source_var._parameters.lambda0 = 0; _Source_var._parameters.dlambda = 0; _Source_var._parameters.phase = 0; _Source_var._parameters.randomphase = 1; _Source_var._parameters.Ee = 2.75; _Source_var._parameters.Ie = 0.5; _Source_var._parameters.B = 1.72; _Source_var._parameters.sigey = 20.2e-6; _Source_var._parameters.sigex = 54.9e-6; _Source_var._parameters.focus_xw = 0; _Source_var._parameters.focus_yh = 0; _Source_var._parameters.dist = 1; _Source_var._parameters.gauss_t = 0; /* component Source=Bending_magnet() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _Origin_var._rotation_absolute, _Source_var._rotation_absolute); rot_transpose(_Origin_var._rotation_absolute, tr1); rot_mul(_Source_var._rotation_absolute, tr1, _Source_var._rotation_relative); _Source_var._rotation_is_identity = rot_test_identity(_Source_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_Origin_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _Source_var._position_absolute = coords_add(_Origin_var._position_absolute, tc2); tc1 = coords_sub(_Origin_var._position_absolute, _Source_var._position_absolute); _Source_var._position_relative = rot_apply(_Source_var._rotation_absolute, tc1); } /* Source=Bending_magnet() AT ROTATED */ DEBUG_COMPONENT("Source", _Source_var._position_absolute, _Source_var._rotation_absolute); instrument->_position_absolute[2] = _Source_var._position_absolute; instrument->_position_relative[2] = _Source_var._position_relative; _Source_var._position_relative_is_zero = coords_test_zero(_Source_var._position_relative); instrument->counter_N[2] = instrument->counter_P[2] = instrument->counter_P2[2] = 0; instrument->counter_AbsorbProp[2]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0001_Source", _Source_var._position_absolute, _Source_var._rotation_absolute, "Bending_magnet"); mccomp_param_nexus(nxhandle,"0001_Source", "E0", "0", "_instrument_var._parameters.E0","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "dE", "0", "_instrument_var._parameters.dE","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "lambda0", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "dlambda", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "phase", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "randomphase", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "Ee", "2.4", "2.75","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "Ie", "0.4", "0.5","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "B", "1.6", "1.72","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "sigey", "0", "20.2e-6","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "sigex", "0", "54.9e-6","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "focus_xw", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "focus_yh", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "dist", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0001_Source", "gauss_t", "0", "0","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _Source_setpos */ /* component slit1=Slit() SETTING, POSITION/ROTATION */ int _slit1_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_slit1_setpos] component slit1=Slit() SETTING [Slit:0]"); stracpy(_slit1_var._name, "slit1", 16384); stracpy(_slit1_var._type, "Slit", 16384); _slit1_var._index=3; int current_setpos_index = 3; _slit1_var._parameters.xmin = 0; _slit1_var._parameters.xmax = 0; _slit1_var._parameters.ymin = 0; _slit1_var._parameters.ymax = 0; _slit1_var._parameters.radius = 0; _slit1_var._parameters.xwidth = 0.021; _slit1_var._parameters.yheight = 0.042; _slit1_var._parameters.dist = 0; _slit1_var._parameters.focus_xw = 0; _slit1_var._parameters.focus_yh = 0; _slit1_var._parameters.focus_x0 = 0; _slit1_var._parameters.focus_y0 = 0; /* component slit1=Slit() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _Source_var._rotation_absolute, _slit1_var._rotation_absolute); rot_transpose(_Source_var._rotation_absolute, tr1); rot_mul(_slit1_var._rotation_absolute, tr1, _slit1_var._rotation_relative); _slit1_var._rotation_is_identity = rot_test_identity(_slit1_var._rotation_relative); tc1 = coords_set( 0, 0, 8.5336); rot_transpose(_Source_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _slit1_var._position_absolute = coords_add(_Source_var._position_absolute, tc2); tc1 = coords_sub(_Source_var._position_absolute, _slit1_var._position_absolute); _slit1_var._position_relative = rot_apply(_slit1_var._rotation_absolute, tc1); } /* slit1=Slit() AT ROTATED */ DEBUG_COMPONENT("slit1", _slit1_var._position_absolute, _slit1_var._rotation_absolute); instrument->_position_absolute[3] = _slit1_var._position_absolute; instrument->_position_relative[3] = _slit1_var._position_relative; _slit1_var._position_relative_is_zero = coords_test_zero(_slit1_var._position_relative); instrument->counter_N[3] = instrument->counter_P[3] = instrument->counter_P2[3] = 0; instrument->counter_AbsorbProp[3]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0002_slit1", _slit1_var._position_absolute, _slit1_var._rotation_absolute, "Slit"); mccomp_param_nexus(nxhandle,"0002_slit1", "xmin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0002_slit1", "xmax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0002_slit1", "ymin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0002_slit1", "ymax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0002_slit1", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0002_slit1", "xwidth", "0.001", "0.021","MCNUM"); mccomp_param_nexus(nxhandle,"0002_slit1", "yheight", "0.001", "0.042","MCNUM"); mccomp_param_nexus(nxhandle,"0002_slit1", "dist", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0002_slit1", "focus_xw", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0002_slit1", "focus_yh", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0002_slit1", "focus_x0", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0002_slit1", "focus_y0", "0", "0","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _slit1_setpos */ /* component slit2=Slit() SETTING, POSITION/ROTATION */ int _slit2_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_slit2_setpos] component slit2=Slit() SETTING [Slit:0]"); stracpy(_slit2_var._name, "slit2", 16384); stracpy(_slit2_var._type, "Slit", 16384); _slit2_var._index=4; int current_setpos_index = 4; _slit2_var._parameters.xmin = 0; _slit2_var._parameters.xmax = 0; _slit2_var._parameters.ymin = 0; _slit2_var._parameters.ymax = 0; _slit2_var._parameters.radius = 0; _slit2_var._parameters.xwidth = 0.02; _slit2_var._parameters.yheight = 0.01; _slit2_var._parameters.dist = 0; _slit2_var._parameters.focus_xw = 0; _slit2_var._parameters.focus_yh = 0; _slit2_var._parameters.focus_x0 = 0; _slit2_var._parameters.focus_y0 = 0; /* component slit2=Slit() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _slit1_var._rotation_absolute, _slit2_var._rotation_absolute); rot_transpose(_slit1_var._rotation_absolute, tr1); rot_mul(_slit2_var._rotation_absolute, tr1, _slit2_var._rotation_relative); _slit2_var._rotation_is_identity = rot_test_identity(_slit2_var._rotation_relative); tc1 = coords_set( 0, 0, 8.6486 -8.5336); rot_transpose(_slit1_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _slit2_var._position_absolute = coords_add(_slit1_var._position_absolute, tc2); tc1 = coords_sub(_slit1_var._position_absolute, _slit2_var._position_absolute); _slit2_var._position_relative = rot_apply(_slit2_var._rotation_absolute, tc1); } /* slit2=Slit() AT ROTATED */ DEBUG_COMPONENT("slit2", _slit2_var._position_absolute, _slit2_var._rotation_absolute); instrument->_position_absolute[4] = _slit2_var._position_absolute; instrument->_position_relative[4] = _slit2_var._position_relative; _slit2_var._position_relative_is_zero = coords_test_zero(_slit2_var._position_relative); instrument->counter_N[4] = instrument->counter_P[4] = instrument->counter_P2[4] = 0; instrument->counter_AbsorbProp[4]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0003_slit2", _slit2_var._position_absolute, _slit2_var._rotation_absolute, "Slit"); mccomp_param_nexus(nxhandle,"0003_slit2", "xmin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0003_slit2", "xmax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0003_slit2", "ymin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0003_slit2", "ymax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0003_slit2", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0003_slit2", "xwidth", "0.001", "0.02","MCNUM"); mccomp_param_nexus(nxhandle,"0003_slit2", "yheight", "0.001", "0.01","MCNUM"); mccomp_param_nexus(nxhandle,"0003_slit2", "dist", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0003_slit2", "focus_xw", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0003_slit2", "focus_yh", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0003_slit2", "focus_x0", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0003_slit2", "focus_y0", "0", "0","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _slit2_setpos */ /* component mirror_m1=Mirror_toroid_pothole() SETTING, POSITION/ROTATION */ int _mirror_m1_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_mirror_m1_setpos] component mirror_m1=Mirror_toroid_pothole() SETTING [Mirror_toroid_pothole:0]"); stracpy(_mirror_m1_var._name, "mirror_m1", 16384); stracpy(_mirror_m1_var._type, "Mirror_toroid_pothole", 16384); _mirror_m1_var._index=5; int current_setpos_index = 5; _mirror_m1_var._parameters.zdepth = 1.1; _mirror_m1_var._parameters.xwidth = 0.015; _mirror_m1_var._parameters.radius = 0.0317; _mirror_m1_var._parameters.radius_o = 9.02e3; _mirror_m1_var._parameters.R0 = 0; if(_instrument_var._parameters.reflec_material_M1 && strlen(_instrument_var._parameters.reflec_material_M1)) stracpy(_mirror_m1_var._parameters.coating, _instrument_var._parameters.reflec_material_M1 ? _instrument_var._parameters.reflec_material_M1 : "", 16384); else _mirror_m1_var._parameters.coating[0]='\0'; /* component mirror_m1=Mirror_toroid_pothole() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (- _instrument_var._parameters.angle_m1 * RAD2DEG / 2)*DEG2RAD, (0)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _slit2_var._rotation_absolute, _mirror_m1_var._rotation_absolute); rot_transpose(_slit2_var._rotation_absolute, tr1); rot_mul(_mirror_m1_var._rotation_absolute, tr1, _mirror_m1_var._rotation_relative); _mirror_m1_var._rotation_is_identity = rot_test_identity(_mirror_m1_var._rotation_relative); tc1 = coords_set( 0, 0, 10.15 -8.6486); rot_transpose(_slit2_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _mirror_m1_var._position_absolute = coords_add(_slit2_var._position_absolute, tc2); tc1 = coords_sub(_slit2_var._position_absolute, _mirror_m1_var._position_absolute); _mirror_m1_var._position_relative = rot_apply(_mirror_m1_var._rotation_absolute, tc1); } /* mirror_m1=Mirror_toroid_pothole() AT ROTATED */ DEBUG_COMPONENT("mirror_m1", _mirror_m1_var._position_absolute, _mirror_m1_var._rotation_absolute); instrument->_position_absolute[5] = _mirror_m1_var._position_absolute; instrument->_position_relative[5] = _mirror_m1_var._position_relative; _mirror_m1_var._position_relative_is_zero = coords_test_zero(_mirror_m1_var._position_relative); instrument->counter_N[5] = instrument->counter_P[5] = instrument->counter_P2[5] = 0; instrument->counter_AbsorbProp[5]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0004_mirror_m1", _mirror_m1_var._position_absolute, _mirror_m1_var._rotation_absolute, "Mirror_toroid_pothole"); mccomp_param_nexus(nxhandle,"0004_mirror_m1", "zdepth", "0.1", "1.1","MCNUM"); mccomp_param_nexus(nxhandle,"0004_mirror_m1", "xwidth", "0.01", "0.015","MCNUM"); mccomp_param_nexus(nxhandle,"0004_mirror_m1", "radius", "NONE", "0.0317","MCNUM"); mccomp_param_nexus(nxhandle,"0004_mirror_m1", "radius_o", "NONE", "9.02e3","MCNUM"); mccomp_param_nexus(nxhandle,"0004_mirror_m1", "R0", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0004_mirror_m1", "coating", "", _instrument_var._parameters.reflec_material_M1, "char*"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _mirror_m1_setpos */ /* component mirror_m1_out=Arm() SETTING, POSITION/ROTATION */ int _mirror_m1_out_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_mirror_m1_out_setpos] component mirror_m1_out=Arm() SETTING [Arm:0]"); stracpy(_mirror_m1_out_var._name, "mirror_m1_out", 16384); stracpy(_mirror_m1_out_var._type, "Arm", 16384); _mirror_m1_out_var._index=6; int current_setpos_index = 6; /* component mirror_m1_out=Arm() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (- _instrument_var._parameters.angle_m1 * RAD2DEG / 2)*DEG2RAD, (0)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _mirror_m1_var._rotation_absolute, _mirror_m1_out_var._rotation_absolute); rot_transpose(_mirror_m1_var._rotation_absolute, tr1); rot_mul(_mirror_m1_out_var._rotation_absolute, tr1, _mirror_m1_out_var._rotation_relative); _mirror_m1_out_var._rotation_is_identity = rot_test_identity(_mirror_m1_out_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_mirror_m1_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _mirror_m1_out_var._position_absolute = coords_add(_mirror_m1_var._position_absolute, tc2); tc1 = coords_sub(_mirror_m1_var._position_absolute, _mirror_m1_out_var._position_absolute); _mirror_m1_out_var._position_relative = rot_apply(_mirror_m1_out_var._rotation_absolute, tc1); } /* mirror_m1_out=Arm() AT ROTATED */ DEBUG_COMPONENT("mirror_m1_out", _mirror_m1_out_var._position_absolute, _mirror_m1_out_var._rotation_absolute); instrument->_position_absolute[6] = _mirror_m1_out_var._position_absolute; instrument->_position_relative[6] = _mirror_m1_out_var._position_relative; _mirror_m1_out_var._position_relative_is_zero = coords_test_zero(_mirror_m1_out_var._position_relative); instrument->counter_N[6] = instrument->counter_P[6] = instrument->counter_P2[6] = 0; instrument->counter_AbsorbProp[6]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0005_mirror_m1_out", _mirror_m1_out_var._position_absolute, _mirror_m1_out_var._rotation_absolute, "Arm"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _mirror_m1_out_setpos */ /* component slit3_xy=PSD_monitor() SETTING, POSITION/ROTATION */ int _slit3_xy_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_slit3_xy_setpos] component slit3_xy=PSD_monitor() SETTING [PSD_monitor:0]"); stracpy(_slit3_xy_var._name, "slit3_xy", 16384); stracpy(_slit3_xy_var._type, "PSD_monitor", 16384); _slit3_xy_var._index=7; int current_setpos_index = 7; _slit3_xy_var._parameters.filename[0]='\0'; _slit3_xy_var._parameters.xwidth = 0.02; _slit3_xy_var._parameters.yheight = 0.01; _slit3_xy_var._parameters.radius = 0; _slit3_xy_var._parameters.restore_xray = 1; _slit3_xy_var._parameters.nowritefile = 0; _slit3_xy_var._parameters.nx = 90; _slit3_xy_var._parameters.ny = 90; _slit3_xy_var._parameters.nr = 0; /* component slit3_xy=PSD_monitor() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _mirror_m1_out_var._rotation_absolute, _slit3_xy_var._rotation_absolute); rot_transpose(_mirror_m1_var._rotation_absolute, tr1); rot_mul(_slit3_xy_var._rotation_absolute, tr1, _slit3_xy_var._rotation_relative); _slit3_xy_var._rotation_is_identity = rot_test_identity(_slit3_xy_var._rotation_relative); tc1 = coords_set( 0, 0, 11.6905 -10.15); rot_transpose(_mirror_m1_out_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _slit3_xy_var._position_absolute = coords_add(_mirror_m1_out_var._position_absolute, tc2); tc1 = coords_sub(_mirror_m1_var._position_absolute, _slit3_xy_var._position_absolute); _slit3_xy_var._position_relative = rot_apply(_slit3_xy_var._rotation_absolute, tc1); } /* slit3_xy=PSD_monitor() AT ROTATED */ DEBUG_COMPONENT("slit3_xy", _slit3_xy_var._position_absolute, _slit3_xy_var._rotation_absolute); instrument->_position_absolute[7] = _slit3_xy_var._position_absolute; instrument->_position_relative[7] = _slit3_xy_var._position_relative; _slit3_xy_var._position_relative_is_zero = coords_test_zero(_slit3_xy_var._position_relative); instrument->counter_N[7] = instrument->counter_P[7] = instrument->counter_P2[7] = 0; instrument->counter_AbsorbProp[7]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0006_slit3_xy", _slit3_xy_var._position_absolute, _slit3_xy_var._rotation_absolute, "PSD_monitor"); mccomp_param_nexus(nxhandle,"0006_slit3_xy", "filename", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0006_slit3_xy", "xwidth", "0.05", "0.02","MCNUM"); mccomp_param_nexus(nxhandle,"0006_slit3_xy", "yheight", "0.05", "0.01","MCNUM"); mccomp_param_nexus(nxhandle,"0006_slit3_xy", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0006_slit3_xy", "restore_xray", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0006_slit3_xy", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0006_slit3_xy", "nx", "90", "90","int"); mccomp_param_nexus(nxhandle,"0006_slit3_xy", "ny", "90", "90","int"); mccomp_param_nexus(nxhandle,"0006_slit3_xy", "nr", "0", "0","int"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _slit3_xy_setpos */ /* component slit3_div=Divergence_monitor() SETTING, POSITION/ROTATION */ int _slit3_div_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_slit3_div_setpos] component slit3_div=Divergence_monitor() SETTING [Divergence_monitor:0]"); stracpy(_slit3_div_var._name, "slit3_div", 16384); stracpy(_slit3_div_var._type, "Divergence_monitor", 16384); _slit3_div_var._index=8; int current_setpos_index = 8; _slit3_div_var._parameters.nh = 128; _slit3_div_var._parameters.nv = 128; _slit3_div_var._parameters.rad = 0; _slit3_div_var._parameters.filename[0]='\0'; _slit3_div_var._parameters.xwidth = 0.1; _slit3_div_var._parameters.yheight = 0.1; _slit3_div_var._parameters.maxdiv_h = 0.05; _slit3_div_var._parameters.maxdiv_v = 0.05; _slit3_div_var._parameters.restore_xray = 0; _slit3_div_var._parameters.nx = 0; _slit3_div_var._parameters.ny = 0; _slit3_div_var._parameters.nz = 1; _slit3_div_var._parameters.nowritefile = 0; /* component slit3_div=Divergence_monitor() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _slit3_xy_var._rotation_absolute, _slit3_div_var._rotation_absolute); rot_transpose(_slit3_xy_var._rotation_absolute, tr1); rot_mul(_slit3_div_var._rotation_absolute, tr1, _slit3_div_var._rotation_relative); _slit3_div_var._rotation_is_identity = rot_test_identity(_slit3_div_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_slit3_xy_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _slit3_div_var._position_absolute = coords_add(_slit3_xy_var._position_absolute, tc2); tc1 = coords_sub(_slit3_xy_var._position_absolute, _slit3_div_var._position_absolute); _slit3_div_var._position_relative = rot_apply(_slit3_div_var._rotation_absolute, tc1); } /* slit3_div=Divergence_monitor() AT ROTATED */ DEBUG_COMPONENT("slit3_div", _slit3_div_var._position_absolute, _slit3_div_var._rotation_absolute); instrument->_position_absolute[8] = _slit3_div_var._position_absolute; instrument->_position_relative[8] = _slit3_div_var._position_relative; _slit3_div_var._position_relative_is_zero = coords_test_zero(_slit3_div_var._position_relative); instrument->counter_N[8] = instrument->counter_P[8] = instrument->counter_P2[8] = 0; instrument->counter_AbsorbProp[8]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0007_slit3_div", _slit3_div_var._position_absolute, _slit3_div_var._rotation_absolute, "Divergence_monitor"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "nh", "20", "128","int"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "nv", "20", "128","int"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "rad", "0", "0","int"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "filename", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "xwidth", "0.1", "0.1","MCNUM"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "yheight", "0.1", "0.1","MCNUM"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "maxdiv_h", "1", "0.05","MCNUM"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "maxdiv_v", "1", "0.05","MCNUM"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "restore_xray", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "nx", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "ny", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "nz", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0007_slit3_div", "nowritefile", "0", "0","int"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _slit3_div_setpos */ /* component slit3=Slit() SETTING, POSITION/ROTATION */ int _slit3_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_slit3_setpos] component slit3=Slit() SETTING [Slit:0]"); stracpy(_slit3_var._name, "slit3", 16384); stracpy(_slit3_var._type, "Slit", 16384); _slit3_var._index=9; int current_setpos_index = 9; _slit3_var._parameters.xmin = 0; _slit3_var._parameters.xmax = 0; _slit3_var._parameters.ymin = 0; _slit3_var._parameters.ymax = 0; _slit3_var._parameters.radius = 0; _slit3_var._parameters.xwidth = 0.02; _slit3_var._parameters.yheight = 0.01; _slit3_var._parameters.dist = 0; _slit3_var._parameters.focus_xw = 0; _slit3_var._parameters.focus_yh = 0; _slit3_var._parameters.focus_x0 = 0; _slit3_var._parameters.focus_y0 = 0; /* component slit3=Slit() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _slit3_xy_var._rotation_absolute, _slit3_var._rotation_absolute); rot_transpose(_slit3_div_var._rotation_absolute, tr1); rot_mul(_slit3_var._rotation_absolute, tr1, _slit3_var._rotation_relative); _slit3_var._rotation_is_identity = rot_test_identity(_slit3_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_slit3_xy_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _slit3_var._position_absolute = coords_add(_slit3_xy_var._position_absolute, tc2); tc1 = coords_sub(_slit3_div_var._position_absolute, _slit3_var._position_absolute); _slit3_var._position_relative = rot_apply(_slit3_var._rotation_absolute, tc1); } /* slit3=Slit() AT ROTATED */ DEBUG_COMPONENT("slit3", _slit3_var._position_absolute, _slit3_var._rotation_absolute); instrument->_position_absolute[9] = _slit3_var._position_absolute; instrument->_position_relative[9] = _slit3_var._position_relative; _slit3_var._position_relative_is_zero = coords_test_zero(_slit3_var._position_relative); instrument->counter_N[9] = instrument->counter_P[9] = instrument->counter_P2[9] = 0; instrument->counter_AbsorbProp[9]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0008_slit3", _slit3_var._position_absolute, _slit3_var._rotation_absolute, "Slit"); mccomp_param_nexus(nxhandle,"0008_slit3", "xmin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit3", "xmax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit3", "ymin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit3", "ymax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit3", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit3", "xwidth", "0.001", "0.02","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit3", "yheight", "0.001", "0.01","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit3", "dist", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit3", "focus_xw", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit3", "focus_yh", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit3", "focus_x0", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0008_slit3", "focus_y0", "0", "0","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _slit3_setpos */ /* component mirror_m2a=Mirror() SETTING, POSITION/ROTATION */ int _mirror_m2a_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_mirror_m2a_setpos] component mirror_m2a=Mirror() SETTING [Mirror:0]"); stracpy(_mirror_m2a_var._name, "mirror_m2a", 16384); stracpy(_mirror_m2a_var._type, "Mirror", 16384); _mirror_m2a_var._index=10; int current_setpos_index = 10; _mirror_m2a_var._parameters.zdepth = 1100e-3; _mirror_m2a_var._parameters.xwidth = 47e-3; _mirror_m2a_var._parameters.yheight = 0; if(_instrument_var._parameters.reflec_material_M2A_M2B && strlen(_instrument_var._parameters.reflec_material_M2A_M2B)) stracpy(_mirror_m2a_var._parameters.coating, _instrument_var._parameters.reflec_material_M2A_M2B ? _instrument_var._parameters.reflec_material_M2A_M2B : "", 16384); else _mirror_m2a_var._parameters.coating[0]='\0'; _mirror_m2a_var._parameters.R0 = 0; if("" && strlen("")) stracpy(_mirror_m2a_var._parameters.geometry, "" ? "" : "", 16384); else _mirror_m2a_var._parameters.geometry[0]='\0'; /* component mirror_m2a=Mirror() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (- _instrument_var._parameters.angle_m2a_m2b * RAD2DEG / 2)*DEG2RAD, (0)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _slit3_var._rotation_absolute, _mirror_m2a_var._rotation_absolute); rot_transpose(_slit3_var._rotation_absolute, tr1); rot_mul(_mirror_m2a_var._rotation_absolute, tr1, _mirror_m2a_var._rotation_relative); _mirror_m2a_var._rotation_is_identity = rot_test_identity(_mirror_m2a_var._rotation_relative); tc1 = coords_set( 0, 0, ( 16.82 -11.6905 )); rot_transpose(_slit3_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _mirror_m2a_var._position_absolute = coords_add(_slit3_var._position_absolute, tc2); tc1 = coords_sub(_slit3_var._position_absolute, _mirror_m2a_var._position_absolute); _mirror_m2a_var._position_relative = rot_apply(_mirror_m2a_var._rotation_absolute, tc1); } /* mirror_m2a=Mirror() AT ROTATED */ DEBUG_COMPONENT("mirror_m2a", _mirror_m2a_var._position_absolute, _mirror_m2a_var._rotation_absolute); instrument->_position_absolute[10] = _mirror_m2a_var._position_absolute; instrument->_position_relative[10] = _mirror_m2a_var._position_relative; _mirror_m2a_var._position_relative_is_zero = coords_test_zero(_mirror_m2a_var._position_relative); instrument->counter_N[10] = instrument->counter_P[10] = instrument->counter_P2[10] = 0; instrument->counter_AbsorbProp[10]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0009_mirror_m2a", _mirror_m2a_var._position_absolute, _mirror_m2a_var._rotation_absolute, "Mirror"); mccomp_param_nexus(nxhandle,"0009_mirror_m2a", "zdepth", "0.1", "1100e-3","MCNUM"); mccomp_param_nexus(nxhandle,"0009_mirror_m2a", "xwidth", "0.01", "47e-3","MCNUM"); mccomp_param_nexus(nxhandle,"0009_mirror_m2a", "yheight", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0009_mirror_m2a", "coating", "", _instrument_var._parameters.reflec_material_M2A_M2B, "char*"); mccomp_param_nexus(nxhandle,"0009_mirror_m2a", "R0", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0009_mirror_m2a", "geometry", "", "", "char*"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _mirror_m2a_setpos */ /* component mirror_m2a_out=Arm() SETTING, POSITION/ROTATION */ int _mirror_m2a_out_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_mirror_m2a_out_setpos] component mirror_m2a_out=Arm() SETTING [Arm:0]"); stracpy(_mirror_m2a_out_var._name, "mirror_m2a_out", 16384); stracpy(_mirror_m2a_out_var._type, "Arm", 16384); _mirror_m2a_out_var._index=11; int current_setpos_index = 11; /* component mirror_m2a_out=Arm() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (- _instrument_var._parameters.angle_m2a_m2b * RAD2DEG / 2)*DEG2RAD, (0)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _mirror_m2a_var._rotation_absolute, _mirror_m2a_out_var._rotation_absolute); rot_transpose(_mirror_m2a_var._rotation_absolute, tr1); rot_mul(_mirror_m2a_out_var._rotation_absolute, tr1, _mirror_m2a_out_var._rotation_relative); _mirror_m2a_out_var._rotation_is_identity = rot_test_identity(_mirror_m2a_out_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_mirror_m2a_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _mirror_m2a_out_var._position_absolute = coords_add(_mirror_m2a_var._position_absolute, tc2); tc1 = coords_sub(_mirror_m2a_var._position_absolute, _mirror_m2a_out_var._position_absolute); _mirror_m2a_out_var._position_relative = rot_apply(_mirror_m2a_out_var._rotation_absolute, tc1); } /* mirror_m2a_out=Arm() AT ROTATED */ DEBUG_COMPONENT("mirror_m2a_out", _mirror_m2a_out_var._position_absolute, _mirror_m2a_out_var._rotation_absolute); instrument->_position_absolute[11] = _mirror_m2a_out_var._position_absolute; instrument->_position_relative[11] = _mirror_m2a_out_var._position_relative; _mirror_m2a_out_var._position_relative_is_zero = coords_test_zero(_mirror_m2a_out_var._position_relative); instrument->counter_N[11] = instrument->counter_P[11] = instrument->counter_P2[11] = 0; instrument->counter_AbsorbProp[11]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0010_mirror_m2a_out", _mirror_m2a_out_var._position_absolute, _mirror_m2a_out_var._rotation_absolute, "Arm"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _mirror_m2a_out_setpos */ /* component slit4_in=PSD_monitor() SETTING, POSITION/ROTATION */ int _slit4_in_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_slit4_in_setpos] component slit4_in=PSD_monitor() SETTING [PSD_monitor:0]"); stracpy(_slit4_in_var._name, "slit4_in", 16384); stracpy(_slit4_in_var._type, "PSD_monitor", 16384); _slit4_in_var._index=12; int current_setpos_index = 12; _slit4_in_var._parameters.filename[0]='\0'; _slit4_in_var._parameters.xwidth = 0.5; _slit4_in_var._parameters.yheight = 0.5; _slit4_in_var._parameters.radius = 0; _slit4_in_var._parameters.restore_xray = 1; _slit4_in_var._parameters.nowritefile = 0; _slit4_in_var._parameters.nx = 90; _slit4_in_var._parameters.ny = 90; _slit4_in_var._parameters.nr = 0; /* component slit4_in=PSD_monitor() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _mirror_m2a_out_var._rotation_absolute, _slit4_in_var._rotation_absolute); rot_transpose(_mirror_m2a_var._rotation_absolute, tr1); rot_mul(_slit4_in_var._rotation_absolute, tr1, _slit4_in_var._rotation_relative); _slit4_in_var._rotation_is_identity = rot_test_identity(_slit4_in_var._rotation_relative); tc1 = coords_set( 0, 0, 18.1512 -16.82); rot_transpose(_mirror_m2a_out_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _slit4_in_var._position_absolute = coords_add(_mirror_m2a_out_var._position_absolute, tc2); tc1 = coords_sub(_mirror_m2a_var._position_absolute, _slit4_in_var._position_absolute); _slit4_in_var._position_relative = rot_apply(_slit4_in_var._rotation_absolute, tc1); } /* slit4_in=PSD_monitor() AT ROTATED */ DEBUG_COMPONENT("slit4_in", _slit4_in_var._position_absolute, _slit4_in_var._rotation_absolute); instrument->_position_absolute[12] = _slit4_in_var._position_absolute; instrument->_position_relative[12] = _slit4_in_var._position_relative; _slit4_in_var._position_relative_is_zero = coords_test_zero(_slit4_in_var._position_relative); instrument->counter_N[12] = instrument->counter_P[12] = instrument->counter_P2[12] = 0; instrument->counter_AbsorbProp[12]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0011_slit4_in", _slit4_in_var._position_absolute, _slit4_in_var._rotation_absolute, "PSD_monitor"); mccomp_param_nexus(nxhandle,"0011_slit4_in", "filename", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0011_slit4_in", "xwidth", "0.05", "0.5","MCNUM"); mccomp_param_nexus(nxhandle,"0011_slit4_in", "yheight", "0.05", "0.5","MCNUM"); mccomp_param_nexus(nxhandle,"0011_slit4_in", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0011_slit4_in", "restore_xray", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0011_slit4_in", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0011_slit4_in", "nx", "90", "90","int"); mccomp_param_nexus(nxhandle,"0011_slit4_in", "ny", "90", "90","int"); mccomp_param_nexus(nxhandle,"0011_slit4_in", "nr", "0", "0","int"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _slit4_in_setpos */ /* component slit4=Slit() SETTING, POSITION/ROTATION */ int _slit4_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_slit4_setpos] component slit4=Slit() SETTING [Slit:0]"); stracpy(_slit4_var._name, "slit4", 16384); stracpy(_slit4_var._type, "Slit", 16384); _slit4_var._index=13; int current_setpos_index = 13; _slit4_var._parameters.xmin = 0; _slit4_var._parameters.xmax = 0; _slit4_var._parameters.ymin = 0; _slit4_var._parameters.ymax = 0; _slit4_var._parameters.radius = 0; _slit4_var._parameters.xwidth = 0.02; _slit4_var._parameters.yheight = 0.02; _slit4_var._parameters.dist = 0; _slit4_var._parameters.focus_xw = 0; _slit4_var._parameters.focus_yh = 0; _slit4_var._parameters.focus_x0 = 0; _slit4_var._parameters.focus_y0 = 0; /* component slit4=Slit() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _slit4_in_var._rotation_absolute, _slit4_var._rotation_absolute); rot_transpose(_slit4_in_var._rotation_absolute, tr1); rot_mul(_slit4_var._rotation_absolute, tr1, _slit4_var._rotation_relative); _slit4_var._rotation_is_identity = rot_test_identity(_slit4_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_slit4_in_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _slit4_var._position_absolute = coords_add(_slit4_in_var._position_absolute, tc2); tc1 = coords_sub(_slit4_in_var._position_absolute, _slit4_var._position_absolute); _slit4_var._position_relative = rot_apply(_slit4_var._rotation_absolute, tc1); } /* slit4=Slit() AT ROTATED */ DEBUG_COMPONENT("slit4", _slit4_var._position_absolute, _slit4_var._rotation_absolute); instrument->_position_absolute[13] = _slit4_var._position_absolute; instrument->_position_relative[13] = _slit4_var._position_relative; _slit4_var._position_relative_is_zero = coords_test_zero(_slit4_var._position_relative); instrument->counter_N[13] = instrument->counter_P[13] = instrument->counter_P2[13] = 0; instrument->counter_AbsorbProp[13]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0012_slit4", _slit4_var._position_absolute, _slit4_var._rotation_absolute, "Slit"); mccomp_param_nexus(nxhandle,"0012_slit4", "xmin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_slit4", "xmax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_slit4", "ymin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_slit4", "ymax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_slit4", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_slit4", "xwidth", "0.001", "0.02","MCNUM"); mccomp_param_nexus(nxhandle,"0012_slit4", "yheight", "0.001", "0.02","MCNUM"); mccomp_param_nexus(nxhandle,"0012_slit4", "dist", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_slit4", "focus_xw", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_slit4", "focus_yh", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_slit4", "focus_x0", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0012_slit4", "focus_y0", "0", "0","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _slit4_setpos */ /* component arm_crystal0=Arm() SETTING, POSITION/ROTATION */ int _arm_crystal0_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_arm_crystal0_setpos] component arm_crystal0=Arm() SETTING [Arm:0]"); stracpy(_arm_crystal0_var._name, "arm_crystal0", 16384); stracpy(_arm_crystal0_var._type, "Arm", 16384); _arm_crystal0_var._index=14; int current_setpos_index = 14; /* component arm_crystal0=Arm() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _slit4_var._rotation_absolute, _arm_crystal0_var._rotation_absolute); rot_transpose(_slit4_var._rotation_absolute, tr1); rot_mul(_arm_crystal0_var._rotation_absolute, tr1, _arm_crystal0_var._rotation_relative); _arm_crystal0_var._rotation_is_identity = rot_test_identity(_arm_crystal0_var._rotation_relative); tc1 = coords_set( 0, 0, center_first_crystal -18.1512); rot_transpose(_slit4_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _arm_crystal0_var._position_absolute = coords_add(_slit4_var._position_absolute, tc2); tc1 = coords_sub(_slit4_var._position_absolute, _arm_crystal0_var._position_absolute); _arm_crystal0_var._position_relative = rot_apply(_arm_crystal0_var._rotation_absolute, tc1); } /* arm_crystal0=Arm() AT ROTATED */ DEBUG_COMPONENT("arm_crystal0", _arm_crystal0_var._position_absolute, _arm_crystal0_var._rotation_absolute); instrument->_position_absolute[14] = _arm_crystal0_var._position_absolute; instrument->_position_relative[14] = _arm_crystal0_var._position_relative; _arm_crystal0_var._position_relative_is_zero = coords_test_zero(_arm_crystal0_var._position_relative); instrument->counter_N[14] = instrument->counter_P[14] = instrument->counter_P2[14] = 0; instrument->counter_AbsorbProp[14]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0013_arm_crystal0", _arm_crystal0_var._position_absolute, _arm_crystal0_var._rotation_absolute, "Arm"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _arm_crystal0_setpos */ /* component bragg_crystal=Bragg_crystal() SETTING, POSITION/ROTATION */ int _bragg_crystal_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_bragg_crystal_setpos] component bragg_crystal=Bragg_crystal() SETTING [Bragg_crystal:0]"); stracpy(_bragg_crystal_var._name, "bragg_crystal", 16384); stracpy(_bragg_crystal_var._type, "Bragg_crystal", 16384); _bragg_crystal_var._index=15; int current_setpos_index = 15; _bragg_crystal_var._parameters.length = length_first_crystal; _bragg_crystal_var._parameters.width = 25e-3; _bragg_crystal_var._parameters.V = 160.1826; if("FormFactors.txt" && strlen("FormFactors.txt")) stracpy(_bragg_crystal_var._parameters.form_factors, "FormFactors.txt" ? "FormFactors.txt" : "", 16384); else _bragg_crystal_var._parameters.form_factors[0]='\0'; if("Si.txt" && strlen("Si.txt")) stracpy(_bragg_crystal_var._parameters.material, "Si.txt" ? "Si.txt" : "", 16384); else _bragg_crystal_var._parameters.material[0]='\0'; _bragg_crystal_var._parameters.alpha = 0.0; _bragg_crystal_var._parameters.R0 = 0; _bragg_crystal_var._parameters.debye_waller_B = 0.4632; _bragg_crystal_var._parameters.crystal_type = 2; _bragg_crystal_var._parameters.h = i_h; _bragg_crystal_var._parameters.k = i_k; _bragg_crystal_var._parameters.l = i_l; _bragg_crystal_var._parameters.structure_factor_scale_r = 0.0; _bragg_crystal_var._parameters.structure_factor_scale_i = 0.0; /* component bragg_crystal=Bragg_crystal() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (- calculated_angle)*DEG2RAD, (0)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _arm_crystal0_var._rotation_absolute, _bragg_crystal_var._rotation_absolute); rot_transpose(_slit4_var._rotation_absolute, tr1); rot_mul(_bragg_crystal_var._rotation_absolute, tr1, _bragg_crystal_var._rotation_relative); _bragg_crystal_var._rotation_is_identity = rot_test_identity(_bragg_crystal_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_arm_crystal0_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _bragg_crystal_var._position_absolute = coords_add(_arm_crystal0_var._position_absolute, tc2); tc1 = coords_sub(_slit4_var._position_absolute, _bragg_crystal_var._position_absolute); _bragg_crystal_var._position_relative = rot_apply(_bragg_crystal_var._rotation_absolute, tc1); } /* bragg_crystal=Bragg_crystal() AT ROTATED */ DEBUG_COMPONENT("bragg_crystal", _bragg_crystal_var._position_absolute, _bragg_crystal_var._rotation_absolute); instrument->_position_absolute[15] = _bragg_crystal_var._position_absolute; instrument->_position_relative[15] = _bragg_crystal_var._position_relative; _bragg_crystal_var._position_relative_is_zero = coords_test_zero(_bragg_crystal_var._position_relative); instrument->counter_N[15] = instrument->counter_P[15] = instrument->counter_P2[15] = 0; instrument->counter_AbsorbProp[15]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0014_bragg_crystal", _bragg_crystal_var._position_absolute, _bragg_crystal_var._rotation_absolute, "Bragg_crystal"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "length", "0.05", "length_first_crystal","MCNUM"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "width", "0.02", "25e-3","MCNUM"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "V", "160.1826", "160.1826","MCNUM"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "form_factors", "FormFactors.txt", "FormFactors.txt", "char*"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "material", "Si.txt", "Si.txt", "char*"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "alpha", "0.0", "0.0","MCNUM"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "R0", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "debye_waller_B", "0.4632", "0.4632","MCNUM"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "crystal_type", "1", "2","int"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "h", "1", "i_h","int"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "k", "1", "i_k","int"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "l", "1", "i_l","int"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "structure_factor_scale_r", "0.0", "0.0","MCNUM"); mccomp_param_nexus(nxhandle,"0014_bragg_crystal", "structure_factor_scale_i", "0.0", "0.0","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _bragg_crystal_setpos */ /* component arm_crystal1=Arm() SETTING, POSITION/ROTATION */ int _arm_crystal1_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_arm_crystal1_setpos] component arm_crystal1=Arm() SETTING [Arm:0]"); stracpy(_arm_crystal1_var._name, "arm_crystal1", 16384); stracpy(_arm_crystal1_var._type, "Arm", 16384); _arm_crystal1_var._index=16; int current_setpos_index = 16; /* component arm_crystal1=Arm() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (- calculated_angle)*DEG2RAD, (0)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _bragg_crystal_var._rotation_absolute, _arm_crystal1_var._rotation_absolute); rot_transpose(_bragg_crystal_var._rotation_absolute, tr1); rot_mul(_arm_crystal1_var._rotation_absolute, tr1, _arm_crystal1_var._rotation_relative); _arm_crystal1_var._rotation_is_identity = rot_test_identity(_arm_crystal1_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_bragg_crystal_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _arm_crystal1_var._position_absolute = coords_add(_bragg_crystal_var._position_absolute, tc2); tc1 = coords_sub(_bragg_crystal_var._position_absolute, _arm_crystal1_var._position_absolute); _arm_crystal1_var._position_relative = rot_apply(_arm_crystal1_var._rotation_absolute, tc1); } /* arm_crystal1=Arm() AT ROTATED */ DEBUG_COMPONENT("arm_crystal1", _arm_crystal1_var._position_absolute, _arm_crystal1_var._rotation_absolute); instrument->_position_absolute[16] = _arm_crystal1_var._position_absolute; instrument->_position_relative[16] = _arm_crystal1_var._position_relative; _arm_crystal1_var._position_relative_is_zero = coords_test_zero(_arm_crystal1_var._position_relative); instrument->counter_N[16] = instrument->counter_P[16] = instrument->counter_P2[16] = 0; instrument->counter_AbsorbProp[16]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0015_arm_crystal1", _arm_crystal1_var._position_absolute, _arm_crystal1_var._rotation_absolute, "Arm"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _arm_crystal1_setpos */ /* component bragg_crystal_two=Bragg_crystal() SETTING, POSITION/ROTATION */ int _bragg_crystal_two_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_bragg_crystal_two_setpos] component bragg_crystal_two=Bragg_crystal() SETTING [Bragg_crystal:0]"); stracpy(_bragg_crystal_two_var._name, "bragg_crystal_two", 16384); stracpy(_bragg_crystal_two_var._type, "Bragg_crystal", 16384); _bragg_crystal_two_var._index=17; int current_setpos_index = 17; _bragg_crystal_two_var._parameters.length = length_second_crystal; _bragg_crystal_two_var._parameters.width = 25e-3; _bragg_crystal_two_var._parameters.V = 160.1826; if("FormFactors.txt" && strlen("FormFactors.txt")) stracpy(_bragg_crystal_two_var._parameters.form_factors, "FormFactors.txt" ? "FormFactors.txt" : "", 16384); else _bragg_crystal_two_var._parameters.form_factors[0]='\0'; if("Si.txt" && strlen("Si.txt")) stracpy(_bragg_crystal_two_var._parameters.material, "Si.txt" ? "Si.txt" : "", 16384); else _bragg_crystal_two_var._parameters.material[0]='\0'; _bragg_crystal_two_var._parameters.alpha = 0.0; _bragg_crystal_two_var._parameters.R0 = 0; _bragg_crystal_two_var._parameters.debye_waller_B = 0.4632; _bragg_crystal_two_var._parameters.crystal_type = 2; _bragg_crystal_two_var._parameters.h = i_h; _bragg_crystal_two_var._parameters.k = i_k; _bragg_crystal_two_var._parameters.l = i_l; _bragg_crystal_two_var._parameters.structure_factor_scale_r = 0.0; _bragg_crystal_two_var._parameters.structure_factor_scale_i = 0.0; /* component bragg_crystal_two=Bragg_crystal() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (calculated_angle)*DEG2RAD, (0)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _arm_crystal1_var._rotation_absolute, _bragg_crystal_two_var._rotation_absolute); rot_transpose(_bragg_crystal_var._rotation_absolute, tr1); rot_mul(_bragg_crystal_two_var._rotation_absolute, tr1, _bragg_crystal_two_var._rotation_relative); _bragg_crystal_two_var._rotation_is_identity = rot_test_identity(_bragg_crystal_two_var._rotation_relative); tc1 = coords_set( 0, 0.01, calculated_angle ? 0.01 / tan ( calculated_angle * DEG2RAD ) : 0); rot_transpose(_bragg_crystal_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _bragg_crystal_two_var._position_absolute = coords_add(_bragg_crystal_var._position_absolute, tc2); tc1 = coords_sub(_bragg_crystal_var._position_absolute, _bragg_crystal_two_var._position_absolute); _bragg_crystal_two_var._position_relative = rot_apply(_bragg_crystal_two_var._rotation_absolute, tc1); } /* bragg_crystal_two=Bragg_crystal() AT ROTATED */ DEBUG_COMPONENT("bragg_crystal_two", _bragg_crystal_two_var._position_absolute, _bragg_crystal_two_var._rotation_absolute); instrument->_position_absolute[17] = _bragg_crystal_two_var._position_absolute; instrument->_position_relative[17] = _bragg_crystal_two_var._position_relative; _bragg_crystal_two_var._position_relative_is_zero = coords_test_zero(_bragg_crystal_two_var._position_relative); instrument->counter_N[17] = instrument->counter_P[17] = instrument->counter_P2[17] = 0; instrument->counter_AbsorbProp[17]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0016_bragg_crystal_two", _bragg_crystal_two_var._position_absolute, _bragg_crystal_two_var._rotation_absolute, "Bragg_crystal"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "length", "0.05", "length_second_crystal","MCNUM"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "width", "0.02", "25e-3","MCNUM"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "V", "160.1826", "160.1826","MCNUM"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "form_factors", "FormFactors.txt", "FormFactors.txt", "char*"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "material", "Si.txt", "Si.txt", "char*"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "alpha", "0.0", "0.0","MCNUM"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "R0", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "debye_waller_B", "0.4632", "0.4632","MCNUM"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "crystal_type", "1", "2","int"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "h", "1", "i_h","int"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "k", "1", "i_k","int"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "l", "1", "i_l","int"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "structure_factor_scale_r", "0.0", "0.0","MCNUM"); mccomp_param_nexus(nxhandle,"0016_bragg_crystal_two", "structure_factor_scale_i", "0.0", "0.0","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _bragg_crystal_two_setpos */ /* component arm_crystal2=Arm() SETTING, POSITION/ROTATION */ int _arm_crystal2_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_arm_crystal2_setpos] component arm_crystal2=Arm() SETTING [Arm:0]"); stracpy(_arm_crystal2_var._name, "arm_crystal2", 16384); stracpy(_arm_crystal2_var._type, "Arm", 16384); _arm_crystal2_var._index=18; int current_setpos_index = 18; /* component arm_crystal2=Arm() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (calculated_angle)*DEG2RAD, (0)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _bragg_crystal_two_var._rotation_absolute, _arm_crystal2_var._rotation_absolute); rot_transpose(_bragg_crystal_two_var._rotation_absolute, tr1); rot_mul(_arm_crystal2_var._rotation_absolute, tr1, _arm_crystal2_var._rotation_relative); _arm_crystal2_var._rotation_is_identity = rot_test_identity(_arm_crystal2_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_bragg_crystal_two_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _arm_crystal2_var._position_absolute = coords_add(_bragg_crystal_two_var._position_absolute, tc2); tc1 = coords_sub(_bragg_crystal_two_var._position_absolute, _arm_crystal2_var._position_absolute); _arm_crystal2_var._position_relative = rot_apply(_arm_crystal2_var._rotation_absolute, tc1); } /* arm_crystal2=Arm() AT ROTATED */ DEBUG_COMPONENT("arm_crystal2", _arm_crystal2_var._position_absolute, _arm_crystal2_var._rotation_absolute); instrument->_position_absolute[18] = _arm_crystal2_var._position_absolute; instrument->_position_relative[18] = _arm_crystal2_var._position_relative; _arm_crystal2_var._position_relative_is_zero = coords_test_zero(_arm_crystal2_var._position_relative); instrument->counter_N[18] = instrument->counter_P[18] = instrument->counter_P2[18] = 0; instrument->counter_AbsorbProp[18]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0017_arm_crystal2", _arm_crystal2_var._position_absolute, _arm_crystal2_var._rotation_absolute, "Arm"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _arm_crystal2_setpos */ /* component bragg_crystal_out=PSD_monitor() SETTING, POSITION/ROTATION */ int _bragg_crystal_out_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_bragg_crystal_out_setpos] component bragg_crystal_out=PSD_monitor() SETTING [PSD_monitor:0]"); stracpy(_bragg_crystal_out_var._name, "bragg_crystal_out", 16384); stracpy(_bragg_crystal_out_var._type, "PSD_monitor", 16384); _bragg_crystal_out_var._index=19; int current_setpos_index = 19; _bragg_crystal_out_var._parameters.filename[0]='\0'; _bragg_crystal_out_var._parameters.xwidth = 0.1; _bragg_crystal_out_var._parameters.yheight = 0.1; _bragg_crystal_out_var._parameters.radius = 0; _bragg_crystal_out_var._parameters.restore_xray = 1; _bragg_crystal_out_var._parameters.nowritefile = 0; _bragg_crystal_out_var._parameters.nx = 200; _bragg_crystal_out_var._parameters.ny = 200; _bragg_crystal_out_var._parameters.nr = 0; /* component bragg_crystal_out=PSD_monitor() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _arm_crystal2_var._rotation_absolute, _bragg_crystal_out_var._rotation_absolute); rot_transpose(_bragg_crystal_two_var._rotation_absolute, tr1); rot_mul(_bragg_crystal_out_var._rotation_absolute, tr1, _bragg_crystal_out_var._rotation_relative); _bragg_crystal_out_var._rotation_is_identity = rot_test_identity(_bragg_crystal_out_var._rotation_relative); tc1 = coords_set( 0, 0, 2 * length_second_crystal); rot_transpose(_arm_crystal2_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _bragg_crystal_out_var._position_absolute = coords_add(_arm_crystal2_var._position_absolute, tc2); tc1 = coords_sub(_bragg_crystal_two_var._position_absolute, _bragg_crystal_out_var._position_absolute); _bragg_crystal_out_var._position_relative = rot_apply(_bragg_crystal_out_var._rotation_absolute, tc1); } /* bragg_crystal_out=PSD_monitor() AT ROTATED */ DEBUG_COMPONENT("bragg_crystal_out", _bragg_crystal_out_var._position_absolute, _bragg_crystal_out_var._rotation_absolute); instrument->_position_absolute[19] = _bragg_crystal_out_var._position_absolute; instrument->_position_relative[19] = _bragg_crystal_out_var._position_relative; _bragg_crystal_out_var._position_relative_is_zero = coords_test_zero(_bragg_crystal_out_var._position_relative); instrument->counter_N[19] = instrument->counter_P[19] = instrument->counter_P2[19] = 0; instrument->counter_AbsorbProp[19]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0018_bragg_crystal_out", _bragg_crystal_out_var._position_absolute, _bragg_crystal_out_var._rotation_absolute, "PSD_monitor"); mccomp_param_nexus(nxhandle,"0018_bragg_crystal_out", "filename", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0018_bragg_crystal_out", "xwidth", "0.05", "0.1","MCNUM"); mccomp_param_nexus(nxhandle,"0018_bragg_crystal_out", "yheight", "0.05", "0.1","MCNUM"); mccomp_param_nexus(nxhandle,"0018_bragg_crystal_out", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0018_bragg_crystal_out", "restore_xray", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0018_bragg_crystal_out", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0018_bragg_crystal_out", "nx", "90", "200","int"); mccomp_param_nexus(nxhandle,"0018_bragg_crystal_out", "ny", "90", "200","int"); mccomp_param_nexus(nxhandle,"0018_bragg_crystal_out", "nr", "0", "0","int"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _bragg_crystal_out_setpos */ /* component slit5=Slit() SETTING, POSITION/ROTATION */ int _slit5_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_slit5_setpos] component slit5=Slit() SETTING [Slit:0]"); stracpy(_slit5_var._name, "slit5", 16384); stracpy(_slit5_var._type, "Slit", 16384); _slit5_var._index=20; int current_setpos_index = 20; _slit5_var._parameters.xmin = 0; _slit5_var._parameters.xmax = 0; _slit5_var._parameters.ymin = 0; _slit5_var._parameters.ymax = 0; _slit5_var._parameters.radius = 0; _slit5_var._parameters.xwidth = 0.02; _slit5_var._parameters.yheight = 0.01; _slit5_var._parameters.dist = 0; _slit5_var._parameters.focus_xw = 0; _slit5_var._parameters.focus_yh = 0; _slit5_var._parameters.focus_x0 = 0; _slit5_var._parameters.focus_y0 = 0; /* component slit5=Slit() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _arm_crystal2_var._rotation_absolute, _slit5_var._rotation_absolute); rot_transpose(_bragg_crystal_out_var._rotation_absolute, tr1); rot_mul(_slit5_var._rotation_absolute, tr1, _slit5_var._rotation_relative); _slit5_var._rotation_is_identity = rot_test_identity(_slit5_var._rotation_relative); tc1 = coords_set( 0, 0, 21.135 - center_first_crystal); rot_transpose(_arm_crystal2_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _slit5_var._position_absolute = coords_add(_arm_crystal2_var._position_absolute, tc2); tc1 = coords_sub(_bragg_crystal_out_var._position_absolute, _slit5_var._position_absolute); _slit5_var._position_relative = rot_apply(_slit5_var._rotation_absolute, tc1); } /* slit5=Slit() AT ROTATED */ DEBUG_COMPONENT("slit5", _slit5_var._position_absolute, _slit5_var._rotation_absolute); instrument->_position_absolute[20] = _slit5_var._position_absolute; instrument->_position_relative[20] = _slit5_var._position_relative; _slit5_var._position_relative_is_zero = coords_test_zero(_slit5_var._position_relative); instrument->counter_N[20] = instrument->counter_P[20] = instrument->counter_P2[20] = 0; instrument->counter_AbsorbProp[20]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0019_slit5", _slit5_var._position_absolute, _slit5_var._rotation_absolute, "Slit"); mccomp_param_nexus(nxhandle,"0019_slit5", "xmin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0019_slit5", "xmax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0019_slit5", "ymin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0019_slit5", "ymax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0019_slit5", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0019_slit5", "xwidth", "0.001", "0.02","MCNUM"); mccomp_param_nexus(nxhandle,"0019_slit5", "yheight", "0.001", "0.01","MCNUM"); mccomp_param_nexus(nxhandle,"0019_slit5", "dist", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0019_slit5", "focus_xw", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0019_slit5", "focus_yh", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0019_slit5", "focus_x0", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0019_slit5", "focus_y0", "0", "0","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _slit5_setpos */ /* component slit6=Slit() SETTING, POSITION/ROTATION */ int _slit6_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_slit6_setpos] component slit6=Slit() SETTING [Slit:0]"); stracpy(_slit6_var._name, "slit6", 16384); stracpy(_slit6_var._type, "Slit", 16384); _slit6_var._index=21; int current_setpos_index = 21; _slit6_var._parameters.xmin = 0; _slit6_var._parameters.xmax = 0; _slit6_var._parameters.ymin = 0; _slit6_var._parameters.ymax = 0; _slit6_var._parameters.radius = 0; _slit6_var._parameters.xwidth = 0.01; _slit6_var._parameters.yheight = 0.02; _slit6_var._parameters.dist = 0; _slit6_var._parameters.focus_xw = 0; _slit6_var._parameters.focus_yh = 0; _slit6_var._parameters.focus_x0 = 0; _slit6_var._parameters.focus_y0 = 0; /* component slit6=Slit() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _slit5_var._rotation_absolute, _slit6_var._rotation_absolute); rot_transpose(_slit5_var._rotation_absolute, tr1); rot_mul(_slit6_var._rotation_absolute, tr1, _slit6_var._rotation_relative); _slit6_var._rotation_is_identity = rot_test_identity(_slit6_var._rotation_relative); tc1 = coords_set( 0, 0, 21.25 -21.135); rot_transpose(_slit5_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _slit6_var._position_absolute = coords_add(_slit5_var._position_absolute, tc2); tc1 = coords_sub(_slit5_var._position_absolute, _slit6_var._position_absolute); _slit6_var._position_relative = rot_apply(_slit6_var._rotation_absolute, tc1); } /* slit6=Slit() AT ROTATED */ DEBUG_COMPONENT("slit6", _slit6_var._position_absolute, _slit6_var._rotation_absolute); instrument->_position_absolute[21] = _slit6_var._position_absolute; instrument->_position_relative[21] = _slit6_var._position_relative; _slit6_var._position_relative_is_zero = coords_test_zero(_slit6_var._position_relative); instrument->counter_N[21] = instrument->counter_P[21] = instrument->counter_P2[21] = 0; instrument->counter_AbsorbProp[21]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0020_slit6", _slit6_var._position_absolute, _slit6_var._rotation_absolute, "Slit"); mccomp_param_nexus(nxhandle,"0020_slit6", "xmin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0020_slit6", "xmax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0020_slit6", "ymin", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0020_slit6", "ymax", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0020_slit6", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0020_slit6", "xwidth", "0.001", "0.01","MCNUM"); mccomp_param_nexus(nxhandle,"0020_slit6", "yheight", "0.001", "0.02","MCNUM"); mccomp_param_nexus(nxhandle,"0020_slit6", "dist", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0020_slit6", "focus_xw", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0020_slit6", "focus_yh", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0020_slit6", "focus_x0", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0020_slit6", "focus_y0", "0", "0","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _slit6_setpos */ /* component mirror_m2b=Mirror_curved() SETTING, POSITION/ROTATION */ int _mirror_m2b_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_mirror_m2b_setpos] component mirror_m2b=Mirror_curved() SETTING [Mirror_curved:0]"); stracpy(_mirror_m2b_var._name, "mirror_m2b", 16384); stracpy(_mirror_m2b_var._type, "Mirror_curved", 16384); _mirror_m2b_var._index=22; int current_setpos_index = 22; _mirror_m2b_var._parameters.radius = 5e3; _mirror_m2b_var._parameters.R0 = 1; if(_instrument_var._parameters.reflec_material_M2A_M2B && strlen(_instrument_var._parameters.reflec_material_M2A_M2B)) stracpy(_mirror_m2b_var._parameters.coating, _instrument_var._parameters.reflec_material_M2A_M2B ? _instrument_var._parameters.reflec_material_M2A_M2B : "", 16384); else _mirror_m2b_var._parameters.coating[0]='\0'; _mirror_m2b_var._parameters.zdepth = 0.2; _mirror_m2b_var._parameters.yheight = 0.2; _mirror_m2b_var._parameters.length = 1100e-3; _mirror_m2b_var._parameters.width = 47e-3; /* component mirror_m2b=Mirror_curved() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (_instrument_var._parameters.angle_m2a_m2b * RAD2DEG / 2)*DEG2RAD, (0)*DEG2RAD, (90)*DEG2RAD); rot_mul(tr1, _slit6_var._rotation_absolute, _mirror_m2b_var._rotation_absolute); rot_transpose(_slit6_var._rotation_absolute, tr1); rot_mul(_mirror_m2b_var._rotation_absolute, tr1, _mirror_m2b_var._rotation_relative); _mirror_m2b_var._rotation_is_identity = rot_test_identity(_mirror_m2b_var._rotation_relative); tc1 = coords_set( 0, 0, 22.44 -21.25); rot_transpose(_slit6_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _mirror_m2b_var._position_absolute = coords_add(_slit6_var._position_absolute, tc2); tc1 = coords_sub(_slit6_var._position_absolute, _mirror_m2b_var._position_absolute); _mirror_m2b_var._position_relative = rot_apply(_mirror_m2b_var._rotation_absolute, tc1); } /* mirror_m2b=Mirror_curved() AT ROTATED */ DEBUG_COMPONENT("mirror_m2b", _mirror_m2b_var._position_absolute, _mirror_m2b_var._rotation_absolute); instrument->_position_absolute[22] = _mirror_m2b_var._position_absolute; instrument->_position_relative[22] = _mirror_m2b_var._position_relative; _mirror_m2b_var._position_relative_is_zero = coords_test_zero(_mirror_m2b_var._position_relative); instrument->counter_N[22] = instrument->counter_P[22] = instrument->counter_P2[22] = 0; instrument->counter_AbsorbProp[22]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0021_mirror_m2b", _mirror_m2b_var._position_absolute, _mirror_m2b_var._rotation_absolute, "Mirror_curved"); mccomp_param_nexus(nxhandle,"0021_mirror_m2b", "radius", "1", "5e3","MCNUM"); mccomp_param_nexus(nxhandle,"0021_mirror_m2b", "R0", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0021_mirror_m2b", "coating", "Be.txt", _instrument_var._parameters.reflec_material_M2A_M2B, "char*"); mccomp_param_nexus(nxhandle,"0021_mirror_m2b", "zdepth", "0.2", "0.2","MCNUM"); mccomp_param_nexus(nxhandle,"0021_mirror_m2b", "yheight", "0.2", "0.2","MCNUM"); mccomp_param_nexus(nxhandle,"0021_mirror_m2b", "length", "0", "1100e-3","MCNUM"); mccomp_param_nexus(nxhandle,"0021_mirror_m2b", "width", "0", "47e-3","MCNUM"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _mirror_m2b_setpos */ /* component mirror_m2b_out=Arm() SETTING, POSITION/ROTATION */ int _mirror_m2b_out_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_mirror_m2b_out_setpos] component mirror_m2b_out=Arm() SETTING [Arm:0]"); stracpy(_mirror_m2b_out_var._name, "mirror_m2b_out", 16384); stracpy(_mirror_m2b_out_var._type, "Arm", 16384); _mirror_m2b_out_var._index=23; int current_setpos_index = 23; /* component mirror_m2b_out=Arm() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (_instrument_var._parameters.angle_m2a_m2b * RAD2DEG)*DEG2RAD, (0)*DEG2RAD, (0)*DEG2RAD); rot_mul(tr1, _arm_crystal2_var._rotation_absolute, _mirror_m2b_out_var._rotation_absolute); rot_transpose(_mirror_m2b_var._rotation_absolute, tr1); rot_mul(_mirror_m2b_out_var._rotation_absolute, tr1, _mirror_m2b_out_var._rotation_relative); _mirror_m2b_out_var._rotation_is_identity = rot_test_identity(_mirror_m2b_out_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_mirror_m2b_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _mirror_m2b_out_var._position_absolute = coords_add(_mirror_m2b_var._position_absolute, tc2); tc1 = coords_sub(_mirror_m2b_var._position_absolute, _mirror_m2b_out_var._position_absolute); _mirror_m2b_out_var._position_relative = rot_apply(_mirror_m2b_out_var._rotation_absolute, tc1); } /* mirror_m2b_out=Arm() AT ROTATED */ DEBUG_COMPONENT("mirror_m2b_out", _mirror_m2b_out_var._position_absolute, _mirror_m2b_out_var._rotation_absolute); instrument->_position_absolute[23] = _mirror_m2b_out_var._position_absolute; instrument->_position_relative[23] = _mirror_m2b_out_var._position_relative; _mirror_m2b_out_var._position_relative_is_zero = coords_test_zero(_mirror_m2b_out_var._position_relative); instrument->counter_N[23] = instrument->counter_P[23] = instrument->counter_P2[23] = 0; instrument->counter_AbsorbProp[23]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0022_mirror_m2b_out", _mirror_m2b_out_var._position_absolute, _mirror_m2b_out_var._rotation_absolute, "Arm"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _mirror_m2b_out_setpos */ /* component EnergyMonitor_before_sample=Monitor_nD() SETTING, POSITION/ROTATION */ int _EnergyMonitor_before_sample_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_EnergyMonitor_before_sample_setpos] component EnergyMonitor_before_sample=Monitor_nD() SETTING [Monitor_nD:0]"); stracpy(_EnergyMonitor_before_sample_var._name, "EnergyMonitor_before_sample", 16384); stracpy(_EnergyMonitor_before_sample_var._type, "Monitor_nD", 16384); _EnergyMonitor_before_sample_var._index=24; int current_setpos_index = 24; if("" && strlen("")) stracpy(_EnergyMonitor_before_sample_var._parameters.user1, "" ? "" : "", 16384); else _EnergyMonitor_before_sample_var._parameters.user1[0]='\0'; if("" && strlen("")) stracpy(_EnergyMonitor_before_sample_var._parameters.user2, "" ? "" : "", 16384); else _EnergyMonitor_before_sample_var._parameters.user2[0]='\0'; if("" && strlen("")) stracpy(_EnergyMonitor_before_sample_var._parameters.user3, "" ? "" : "", 16384); else _EnergyMonitor_before_sample_var._parameters.user3[0]='\0'; _EnergyMonitor_before_sample_var._parameters.xwidth = 0.1; _EnergyMonitor_before_sample_var._parameters.yheight = 0.1; _EnergyMonitor_before_sample_var._parameters.zdepth = 0; _EnergyMonitor_before_sample_var._parameters.bins = 500; _EnergyMonitor_before_sample_var._parameters.min = _instrument_var._parameters.E0 - ( 0.005 + ( _instrument_var._parameters.E0 - Eminkev ) * incr ); _EnergyMonitor_before_sample_var._parameters.max = _instrument_var._parameters.E0 + ( 0.005 + ( _instrument_var._parameters.E0 - Eminkev ) * incr ); _EnergyMonitor_before_sample_var._parameters.restore_xray = 1; _EnergyMonitor_before_sample_var._parameters.radius = 0; if("energy" && strlen("energy")) stracpy(_EnergyMonitor_before_sample_var._parameters.options, "energy" ? "energy" : "", 16384); else _EnergyMonitor_before_sample_var._parameters.options[0]='\0'; if("EnergyMonitor_before_sample" && strlen("EnergyMonitor_before_sample")) stracpy(_EnergyMonitor_before_sample_var._parameters.filename, "EnergyMonitor_before_sample" ? "EnergyMonitor_before_sample" : "", 16384); else _EnergyMonitor_before_sample_var._parameters.filename[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_EnergyMonitor_before_sample_var._parameters.geometry, "NULL" ? "NULL" : "", 16384); else _EnergyMonitor_before_sample_var._parameters.geometry[0]='\0'; _EnergyMonitor_before_sample_var._parameters.nowritefile = 0; if("NULL" && strlen("NULL")) stracpy(_EnergyMonitor_before_sample_var._parameters.username1, "NULL" ? "NULL" : "", 16384); else _EnergyMonitor_before_sample_var._parameters.username1[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_EnergyMonitor_before_sample_var._parameters.username2, "NULL" ? "NULL" : "", 16384); else _EnergyMonitor_before_sample_var._parameters.username2[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_EnergyMonitor_before_sample_var._parameters.username3, "NULL" ? "NULL" : "", 16384); else _EnergyMonitor_before_sample_var._parameters.username3[0]='\0'; /* component EnergyMonitor_before_sample=Monitor_nD() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _mirror_m2b_out_var._rotation_absolute, _EnergyMonitor_before_sample_var._rotation_absolute); rot_transpose(_mirror_m2b_var._rotation_absolute, tr1); rot_mul(_EnergyMonitor_before_sample_var._rotation_absolute, tr1, _EnergyMonitor_before_sample_var._rotation_relative); _EnergyMonitor_before_sample_var._rotation_is_identity = rot_test_identity(_EnergyMonitor_before_sample_var._rotation_relative); tc1 = coords_set( 0, 0, 10); rot_transpose(_mirror_m2b_out_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _EnergyMonitor_before_sample_var._position_absolute = coords_add(_mirror_m2b_out_var._position_absolute, tc2); tc1 = coords_sub(_mirror_m2b_var._position_absolute, _EnergyMonitor_before_sample_var._position_absolute); _EnergyMonitor_before_sample_var._position_relative = rot_apply(_EnergyMonitor_before_sample_var._rotation_absolute, tc1); } /* EnergyMonitor_before_sample=Monitor_nD() AT ROTATED */ DEBUG_COMPONENT("EnergyMonitor_before_sample", _EnergyMonitor_before_sample_var._position_absolute, _EnergyMonitor_before_sample_var._rotation_absolute); instrument->_position_absolute[24] = _EnergyMonitor_before_sample_var._position_absolute; instrument->_position_relative[24] = _EnergyMonitor_before_sample_var._position_relative; _EnergyMonitor_before_sample_var._position_relative_is_zero = coords_test_zero(_EnergyMonitor_before_sample_var._position_relative); instrument->counter_N[24] = instrument->counter_P[24] = instrument->counter_P2[24] = 0; instrument->counter_AbsorbProp[24]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0023_EnergyMonitor_before_sample", _EnergyMonitor_before_sample_var._position_absolute, _EnergyMonitor_before_sample_var._rotation_absolute, "Monitor_nD"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "user1", "", "", "char*"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "user2", "", "", "char*"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "user3", "", "", "char*"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "xwidth", "0", "0.1","MCNUM"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "yheight", "0", "0.1","MCNUM"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "zdepth", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "bins", "0", "500","MCNUM"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "min", "-1e40", "_instrument_var._parameters.E0 - ( 0.005 + ( _instrument_var._parameters.E0 - Eminkev ) * incr )","MCNUM"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "max", "1e40", "_instrument_var._parameters.E0 + ( 0.005 + ( _instrument_var._parameters.E0 - Eminkev ) * incr )","MCNUM"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "restore_xray", "0", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "options", "NULL", "energy", "char*"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "filename", "NULL", "EnergyMonitor_before_sample", "char*"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "geometry", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "username1", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "username2", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0023_EnergyMonitor_before_sample", "username3", "NULL", "NULL", "char*"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _EnergyMonitor_before_sample_setpos */ /* component e_repartition_after_m2b=Monitor_nD() SETTING, POSITION/ROTATION */ int _e_repartition_after_m2b_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_e_repartition_after_m2b_setpos] component e_repartition_after_m2b=Monitor_nD() SETTING [Monitor_nD:0]"); stracpy(_e_repartition_after_m2b_var._name, "e_repartition_after_m2b", 16384); stracpy(_e_repartition_after_m2b_var._type, "Monitor_nD", 16384); _e_repartition_after_m2b_var._index=25; int current_setpos_index = 25; if("" && strlen("")) stracpy(_e_repartition_after_m2b_var._parameters.user1, "" ? "" : "", 16384); else _e_repartition_after_m2b_var._parameters.user1[0]='\0'; if("" && strlen("")) stracpy(_e_repartition_after_m2b_var._parameters.user2, "" ? "" : "", 16384); else _e_repartition_after_m2b_var._parameters.user2[0]='\0'; if("" && strlen("")) stracpy(_e_repartition_after_m2b_var._parameters.user3, "" ? "" : "", 16384); else _e_repartition_after_m2b_var._parameters.user3[0]='\0'; _e_repartition_after_m2b_var._parameters.xwidth = 0.02; _e_repartition_after_m2b_var._parameters.yheight = 0.02; _e_repartition_after_m2b_var._parameters.zdepth = 0; _e_repartition_after_m2b_var._parameters.bins = 500; _e_repartition_after_m2b_var._parameters.min = -1e40; _e_repartition_after_m2b_var._parameters.max = 1e40; _e_repartition_after_m2b_var._parameters.restore_xray = 1; _e_repartition_after_m2b_var._parameters.radius = 0; if(e_repartition_options && strlen(e_repartition_options)) stracpy(_e_repartition_after_m2b_var._parameters.options, e_repartition_options ? e_repartition_options : "", 16384); else _e_repartition_after_m2b_var._parameters.options[0]='\0'; if("e_repartition_after_m2b" && strlen("e_repartition_after_m2b")) stracpy(_e_repartition_after_m2b_var._parameters.filename, "e_repartition_after_m2b" ? "e_repartition_after_m2b" : "", 16384); else _e_repartition_after_m2b_var._parameters.filename[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_e_repartition_after_m2b_var._parameters.geometry, "NULL" ? "NULL" : "", 16384); else _e_repartition_after_m2b_var._parameters.geometry[0]='\0'; _e_repartition_after_m2b_var._parameters.nowritefile = 0; if("NULL" && strlen("NULL")) stracpy(_e_repartition_after_m2b_var._parameters.username1, "NULL" ? "NULL" : "", 16384); else _e_repartition_after_m2b_var._parameters.username1[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_e_repartition_after_m2b_var._parameters.username2, "NULL" ? "NULL" : "", 16384); else _e_repartition_after_m2b_var._parameters.username2[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_e_repartition_after_m2b_var._parameters.username3, "NULL" ? "NULL" : "", 16384); else _e_repartition_after_m2b_var._parameters.username3[0]='\0'; /* component e_repartition_after_m2b=Monitor_nD() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _EnergyMonitor_before_sample_var._rotation_absolute, _e_repartition_after_m2b_var._rotation_absolute); rot_transpose(_EnergyMonitor_before_sample_var._rotation_absolute, tr1); rot_mul(_e_repartition_after_m2b_var._rotation_absolute, tr1, _e_repartition_after_m2b_var._rotation_relative); _e_repartition_after_m2b_var._rotation_is_identity = rot_test_identity(_e_repartition_after_m2b_var._rotation_relative); tc1 = coords_set( 0, 0, 0.5); rot_transpose(_EnergyMonitor_before_sample_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _e_repartition_after_m2b_var._position_absolute = coords_add(_EnergyMonitor_before_sample_var._position_absolute, tc2); tc1 = coords_sub(_EnergyMonitor_before_sample_var._position_absolute, _e_repartition_after_m2b_var._position_absolute); _e_repartition_after_m2b_var._position_relative = rot_apply(_e_repartition_after_m2b_var._rotation_absolute, tc1); } /* e_repartition_after_m2b=Monitor_nD() AT ROTATED */ DEBUG_COMPONENT("e_repartition_after_m2b", _e_repartition_after_m2b_var._position_absolute, _e_repartition_after_m2b_var._rotation_absolute); instrument->_position_absolute[25] = _e_repartition_after_m2b_var._position_absolute; instrument->_position_relative[25] = _e_repartition_after_m2b_var._position_relative; _e_repartition_after_m2b_var._position_relative_is_zero = coords_test_zero(_e_repartition_after_m2b_var._position_relative); instrument->counter_N[25] = instrument->counter_P[25] = instrument->counter_P2[25] = 0; instrument->counter_AbsorbProp[25]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0024_e_repartition_after_m2b", _e_repartition_after_m2b_var._position_absolute, _e_repartition_after_m2b_var._rotation_absolute, "Monitor_nD"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "user1", "", "", "char*"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "user2", "", "", "char*"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "user3", "", "", "char*"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "xwidth", "0", "0.02","MCNUM"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "yheight", "0", "0.02","MCNUM"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "zdepth", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "bins", "0", "500","MCNUM"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "min", "-1e40", "-1e40","MCNUM"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "max", "1e40", "1e40","MCNUM"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "restore_xray", "0", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "options", "NULL", e_repartition_options, "char*"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "filename", "NULL", "e_repartition_after_m2b", "char*"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "geometry", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "username1", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "username2", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0024_e_repartition_after_m2b", "username3", "NULL", "NULL", "char*"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _e_repartition_after_m2b_setpos */ /* component sample_in=PSD_monitor() SETTING, POSITION/ROTATION */ int _sample_in_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_sample_in_setpos] component sample_in=PSD_monitor() SETTING [PSD_monitor:0]"); stracpy(_sample_in_var._name, "sample_in", 16384); stracpy(_sample_in_var._type, "PSD_monitor", 16384); _sample_in_var._index=26; int current_setpos_index = 26; _sample_in_var._parameters.filename[0]='\0'; _sample_in_var._parameters.xwidth = 0.01; _sample_in_var._parameters.yheight = 0.01; _sample_in_var._parameters.radius = 0; _sample_in_var._parameters.restore_xray = 1; _sample_in_var._parameters.nowritefile = 0; _sample_in_var._parameters.nx = 200; _sample_in_var._parameters.ny = 200; _sample_in_var._parameters.nr = 0; /* component sample_in=PSD_monitor() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _e_repartition_after_m2b_var._rotation_absolute, _sample_in_var._rotation_absolute); rot_transpose(_e_repartition_after_m2b_var._rotation_absolute, tr1); rot_mul(_sample_in_var._rotation_absolute, tr1, _sample_in_var._rotation_relative); _sample_in_var._rotation_is_identity = rot_test_identity(_sample_in_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_e_repartition_after_m2b_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _sample_in_var._position_absolute = coords_add(_e_repartition_after_m2b_var._position_absolute, tc2); tc1 = coords_sub(_e_repartition_after_m2b_var._position_absolute, _sample_in_var._position_absolute); _sample_in_var._position_relative = rot_apply(_sample_in_var._rotation_absolute, tc1); } /* sample_in=PSD_monitor() AT ROTATED */ DEBUG_COMPONENT("sample_in", _sample_in_var._position_absolute, _sample_in_var._rotation_absolute); instrument->_position_absolute[26] = _sample_in_var._position_absolute; instrument->_position_relative[26] = _sample_in_var._position_relative; _sample_in_var._position_relative_is_zero = coords_test_zero(_sample_in_var._position_relative); instrument->counter_N[26] = instrument->counter_P[26] = instrument->counter_P2[26] = 0; instrument->counter_AbsorbProp[26]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0025_sample_in", _sample_in_var._position_absolute, _sample_in_var._rotation_absolute, "PSD_monitor"); mccomp_param_nexus(nxhandle,"0025_sample_in", "filename", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0025_sample_in", "xwidth", "0.05", "0.01","MCNUM"); mccomp_param_nexus(nxhandle,"0025_sample_in", "yheight", "0.05", "0.01","MCNUM"); mccomp_param_nexus(nxhandle,"0025_sample_in", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0025_sample_in", "restore_xray", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0025_sample_in", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0025_sample_in", "nx", "90", "200","int"); mccomp_param_nexus(nxhandle,"0025_sample_in", "ny", "90", "200","int"); mccomp_param_nexus(nxhandle,"0025_sample_in", "nr", "0", "0","int"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _sample_in_setpos */ /* component absorption_sample=Fluorescence() SETTING, POSITION/ROTATION */ int _absorption_sample_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_absorption_sample_setpos] component absorption_sample=Fluorescence() SETTING [Fluorescence:0]"); stracpy(_absorption_sample_var._name, "absorption_sample", 16384); stracpy(_absorption_sample_var._type, "Fluorescence", 16384); _absorption_sample_var._index=27; int current_setpos_index = 27; _absorption_sample_var._parameters.geometry[0]='\0'; _absorption_sample_var._parameters.radius = 0; _absorption_sample_var._parameters.thickness = 0; _absorption_sample_var._parameters.xwidth = 0.05; _absorption_sample_var._parameters.yheight = 0.05; _absorption_sample_var._parameters.zdepth = 0.0001; _absorption_sample_var._parameters.concentric = 0; if(_instrument_var._parameters.sample_file && strlen(_instrument_var._parameters.sample_file)) stracpy(_absorption_sample_var._parameters.material, _instrument_var._parameters.sample_file ? _instrument_var._parameters.sample_file : "", 16384); else _absorption_sample_var._parameters.material[0]='\0'; _absorption_sample_var._parameters.packing_factor = 0; _absorption_sample_var._parameters.rho = 0; _absorption_sample_var._parameters.density = 0; _absorption_sample_var._parameters.weight = 0; _absorption_sample_var._parameters.p_interact = 0; _absorption_sample_var._parameters.target_x = 0; _absorption_sample_var._parameters.target_y = 0; _absorption_sample_var._parameters.target_z = 0; _absorption_sample_var._parameters.focus_r = 0; _absorption_sample_var._parameters.focus_xw = 0; _absorption_sample_var._parameters.focus_yh = 0; _absorption_sample_var._parameters.focus_aw = 0; _absorption_sample_var._parameters.focus_ah = 0; _absorption_sample_var._parameters.target_index = 0; _absorption_sample_var._parameters.flag_compton = 1; _absorption_sample_var._parameters.flag_rayleigh = 1; _absorption_sample_var._parameters.flag_lorentzian = 0; _absorption_sample_var._parameters.flag_kissel = 0; _absorption_sample_var._parameters.flag_low_z = 0; _absorption_sample_var._parameters.order = 1; /* component absorption_sample=Fluorescence() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _e_repartition_after_m2b_var._rotation_absolute, _absorption_sample_var._rotation_absolute); rot_transpose(_sample_in_var._rotation_absolute, tr1); rot_mul(_absorption_sample_var._rotation_absolute, tr1, _absorption_sample_var._rotation_relative); _absorption_sample_var._rotation_is_identity = rot_test_identity(_absorption_sample_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_e_repartition_after_m2b_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _absorption_sample_var._position_absolute = coords_add(_e_repartition_after_m2b_var._position_absolute, tc2); tc1 = coords_sub(_sample_in_var._position_absolute, _absorption_sample_var._position_absolute); _absorption_sample_var._position_relative = rot_apply(_absorption_sample_var._rotation_absolute, tc1); } /* absorption_sample=Fluorescence() AT ROTATED */ DEBUG_COMPONENT("absorption_sample", _absorption_sample_var._position_absolute, _absorption_sample_var._rotation_absolute); instrument->_position_absolute[27] = _absorption_sample_var._position_absolute; instrument->_position_relative[27] = _absorption_sample_var._position_relative; _absorption_sample_var._position_relative_is_zero = coords_test_zero(_absorption_sample_var._position_relative); instrument->counter_N[27] = instrument->counter_P[27] = instrument->counter_P2[27] = 0; instrument->counter_AbsorbProp[27]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0026_absorption_sample", _absorption_sample_var._position_absolute, _absorption_sample_var._rotation_absolute, "Fluorescence"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "geometry", 0, 0, "char*"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "thickness", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "xwidth", "0", "0.05","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "yheight", "0", "0.05","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "zdepth", "0", "0.0001","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "concentric", "0", "0","int"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "material", "LaB6", _instrument_var._parameters.sample_file, "char*"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "packing_factor", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "rho", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "density", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "weight", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "p_interact", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "target_x", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "target_y", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "target_z", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "focus_r", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "focus_xw", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "focus_yh", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "focus_aw", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "focus_ah", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "target_index", "0", "0","int"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "flag_compton", "1", "1","int"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "flag_rayleigh", "1", "1","int"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "flag_lorentzian", "0", "0","int"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "flag_kissel", "0", "0","int"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "flag_low_z", "0", "0","int"); mccomp_param_nexus(nxhandle,"0026_absorption_sample", "order", "1", "1","int"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _absorption_sample_setpos */ /* component fluo_monitor=Monitor_nD() SETTING, POSITION/ROTATION */ int _fluo_monitor_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_fluo_monitor_setpos] component fluo_monitor=Monitor_nD() SETTING [Monitor_nD:0]"); stracpy(_fluo_monitor_var._name, "fluo_monitor", 16384); stracpy(_fluo_monitor_var._type, "Monitor_nD", 16384); _fluo_monitor_var._index=28; int current_setpos_index = 28; if("" && strlen("")) stracpy(_fluo_monitor_var._parameters.user1, "" ? "" : "", 16384); else _fluo_monitor_var._parameters.user1[0]='\0'; if("" && strlen("")) stracpy(_fluo_monitor_var._parameters.user2, "" ? "" : "", 16384); else _fluo_monitor_var._parameters.user2[0]='\0'; if("" && strlen("")) stracpy(_fluo_monitor_var._parameters.user3, "" ? "" : "", 16384); else _fluo_monitor_var._parameters.user3[0]='\0'; _fluo_monitor_var._parameters.xwidth = 0; _fluo_monitor_var._parameters.yheight = 0; _fluo_monitor_var._parameters.zdepth = 0; _fluo_monitor_var._parameters.bins = 1024; _fluo_monitor_var._parameters.min = 0; _fluo_monitor_var._parameters.max = _instrument_var._parameters.E0 * 1.2; _fluo_monitor_var._parameters.restore_xray = 0; _fluo_monitor_var._parameters.radius = 0.2; if("energy" && strlen("energy")) stracpy(_fluo_monitor_var._parameters.options, "energy" ? "energy" : "", 16384); else _fluo_monitor_var._parameters.options[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_fluo_monitor_var._parameters.filename, "NULL" ? "NULL" : "", 16384); else _fluo_monitor_var._parameters.filename[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_fluo_monitor_var._parameters.geometry, "NULL" ? "NULL" : "", 16384); else _fluo_monitor_var._parameters.geometry[0]='\0'; _fluo_monitor_var._parameters.nowritefile = 0; if("NULL" && strlen("NULL")) stracpy(_fluo_monitor_var._parameters.username1, "NULL" ? "NULL" : "", 16384); else _fluo_monitor_var._parameters.username1[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_fluo_monitor_var._parameters.username2, "NULL" ? "NULL" : "", 16384); else _fluo_monitor_var._parameters.username2[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_fluo_monitor_var._parameters.username3, "NULL" ? "NULL" : "", 16384); else _fluo_monitor_var._parameters.username3[0]='\0'; /* component fluo_monitor=Monitor_nD() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _absorption_sample_var._rotation_absolute, _fluo_monitor_var._rotation_absolute); rot_transpose(_absorption_sample_var._rotation_absolute, tr1); rot_mul(_fluo_monitor_var._rotation_absolute, tr1, _fluo_monitor_var._rotation_relative); _fluo_monitor_var._rotation_is_identity = rot_test_identity(_fluo_monitor_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_absorption_sample_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _fluo_monitor_var._position_absolute = coords_add(_absorption_sample_var._position_absolute, tc2); tc1 = coords_sub(_absorption_sample_var._position_absolute, _fluo_monitor_var._position_absolute); _fluo_monitor_var._position_relative = rot_apply(_fluo_monitor_var._rotation_absolute, tc1); } /* fluo_monitor=Monitor_nD() AT ROTATED */ DEBUG_COMPONENT("fluo_monitor", _fluo_monitor_var._position_absolute, _fluo_monitor_var._rotation_absolute); instrument->_position_absolute[28] = _fluo_monitor_var._position_absolute; instrument->_position_relative[28] = _fluo_monitor_var._position_relative; _fluo_monitor_var._position_relative_is_zero = coords_test_zero(_fluo_monitor_var._position_relative); instrument->counter_N[28] = instrument->counter_P[28] = instrument->counter_P2[28] = 0; instrument->counter_AbsorbProp[28]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0027_fluo_monitor", _fluo_monitor_var._position_absolute, _fluo_monitor_var._rotation_absolute, "Monitor_nD"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "user1", "", "", "char*"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "user2", "", "", "char*"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "user3", "", "", "char*"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "xwidth", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "yheight", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "zdepth", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "bins", "0", "1024","MCNUM"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "min", "-1e40", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "max", "1e40", "_instrument_var._parameters.E0 * 1.2","MCNUM"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "restore_xray", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "radius", "0", "0.2","MCNUM"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "options", "NULL", "energy", "char*"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "filename", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "geometry", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "username1", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "username2", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0027_fluo_monitor", "username3", "NULL", "NULL", "char*"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _fluo_monitor_setpos */ /* component EnergyMonitor_after_sample=Monitor_nD() SETTING, POSITION/ROTATION */ int _EnergyMonitor_after_sample_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_EnergyMonitor_after_sample_setpos] component EnergyMonitor_after_sample=Monitor_nD() SETTING [Monitor_nD:0]"); stracpy(_EnergyMonitor_after_sample_var._name, "EnergyMonitor_after_sample", 16384); stracpy(_EnergyMonitor_after_sample_var._type, "Monitor_nD", 16384); _EnergyMonitor_after_sample_var._index=29; int current_setpos_index = 29; if("" && strlen("")) stracpy(_EnergyMonitor_after_sample_var._parameters.user1, "" ? "" : "", 16384); else _EnergyMonitor_after_sample_var._parameters.user1[0]='\0'; if("" && strlen("")) stracpy(_EnergyMonitor_after_sample_var._parameters.user2, "" ? "" : "", 16384); else _EnergyMonitor_after_sample_var._parameters.user2[0]='\0'; if("" && strlen("")) stracpy(_EnergyMonitor_after_sample_var._parameters.user3, "" ? "" : "", 16384); else _EnergyMonitor_after_sample_var._parameters.user3[0]='\0'; _EnergyMonitor_after_sample_var._parameters.xwidth = 0.1; _EnergyMonitor_after_sample_var._parameters.yheight = 0.1; _EnergyMonitor_after_sample_var._parameters.zdepth = 0; _EnergyMonitor_after_sample_var._parameters.bins = 500; _EnergyMonitor_after_sample_var._parameters.min = _instrument_var._parameters.E0 - ( 0.005 + ( _instrument_var._parameters.E0 - Eminkev ) * incr ); _EnergyMonitor_after_sample_var._parameters.max = _instrument_var._parameters.E0 + ( 0.005 + ( _instrument_var._parameters.E0 - Eminkev ) * incr ); _EnergyMonitor_after_sample_var._parameters.restore_xray = 1; _EnergyMonitor_after_sample_var._parameters.radius = 0; if("energy" && strlen("energy")) stracpy(_EnergyMonitor_after_sample_var._parameters.options, "energy" ? "energy" : "", 16384); else _EnergyMonitor_after_sample_var._parameters.options[0]='\0'; if("EnergyMonitor_after_sample" && strlen("EnergyMonitor_after_sample")) stracpy(_EnergyMonitor_after_sample_var._parameters.filename, "EnergyMonitor_after_sample" ? "EnergyMonitor_after_sample" : "", 16384); else _EnergyMonitor_after_sample_var._parameters.filename[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_EnergyMonitor_after_sample_var._parameters.geometry, "NULL" ? "NULL" : "", 16384); else _EnergyMonitor_after_sample_var._parameters.geometry[0]='\0'; _EnergyMonitor_after_sample_var._parameters.nowritefile = 0; if("NULL" && strlen("NULL")) stracpy(_EnergyMonitor_after_sample_var._parameters.username1, "NULL" ? "NULL" : "", 16384); else _EnergyMonitor_after_sample_var._parameters.username1[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_EnergyMonitor_after_sample_var._parameters.username2, "NULL" ? "NULL" : "", 16384); else _EnergyMonitor_after_sample_var._parameters.username2[0]='\0'; if("NULL" && strlen("NULL")) stracpy(_EnergyMonitor_after_sample_var._parameters.username3, "NULL" ? "NULL" : "", 16384); else _EnergyMonitor_after_sample_var._parameters.username3[0]='\0'; /* component EnergyMonitor_after_sample=Monitor_nD() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _fluo_monitor_var._rotation_absolute, _EnergyMonitor_after_sample_var._rotation_absolute); rot_transpose(_fluo_monitor_var._rotation_absolute, tr1); rot_mul(_EnergyMonitor_after_sample_var._rotation_absolute, tr1, _EnergyMonitor_after_sample_var._rotation_relative); _EnergyMonitor_after_sample_var._rotation_is_identity = rot_test_identity(_EnergyMonitor_after_sample_var._rotation_relative); tc1 = coords_set( 0, 0, 0.5); rot_transpose(_fluo_monitor_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _EnergyMonitor_after_sample_var._position_absolute = coords_add(_fluo_monitor_var._position_absolute, tc2); tc1 = coords_sub(_fluo_monitor_var._position_absolute, _EnergyMonitor_after_sample_var._position_absolute); _EnergyMonitor_after_sample_var._position_relative = rot_apply(_EnergyMonitor_after_sample_var._rotation_absolute, tc1); } /* EnergyMonitor_after_sample=Monitor_nD() AT ROTATED */ DEBUG_COMPONENT("EnergyMonitor_after_sample", _EnergyMonitor_after_sample_var._position_absolute, _EnergyMonitor_after_sample_var._rotation_absolute); instrument->_position_absolute[29] = _EnergyMonitor_after_sample_var._position_absolute; instrument->_position_relative[29] = _EnergyMonitor_after_sample_var._position_relative; _EnergyMonitor_after_sample_var._position_relative_is_zero = coords_test_zero(_EnergyMonitor_after_sample_var._position_relative); instrument->counter_N[29] = instrument->counter_P[29] = instrument->counter_P2[29] = 0; instrument->counter_AbsorbProp[29]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0028_EnergyMonitor_after_sample", _EnergyMonitor_after_sample_var._position_absolute, _EnergyMonitor_after_sample_var._rotation_absolute, "Monitor_nD"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "user1", "", "", "char*"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "user2", "", "", "char*"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "user3", "", "", "char*"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "xwidth", "0", "0.1","MCNUM"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "yheight", "0", "0.1","MCNUM"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "zdepth", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "bins", "0", "500","MCNUM"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "min", "-1e40", "_instrument_var._parameters.E0 - ( 0.005 + ( _instrument_var._parameters.E0 - Eminkev ) * incr )","MCNUM"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "max", "1e40", "_instrument_var._parameters.E0 + ( 0.005 + ( _instrument_var._parameters.E0 - Eminkev ) * incr )","MCNUM"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "restore_xray", "0", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "options", "NULL", "energy", "char*"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "filename", "NULL", "EnergyMonitor_after_sample", "char*"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "geometry", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "username1", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "username2", "NULL", "NULL", "char*"); mccomp_param_nexus(nxhandle,"0028_EnergyMonitor_after_sample", "username3", "NULL", "NULL", "char*"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _EnergyMonitor_after_sample_setpos */ /* component psd_monitor=PSD_monitor() SETTING, POSITION/ROTATION */ int _psd_monitor_setpos(void) { /* sets initial component parameters, position and rotation */ SIG_MESSAGE("[_psd_monitor_setpos] component psd_monitor=PSD_monitor() SETTING [PSD_monitor:0]"); stracpy(_psd_monitor_var._name, "psd_monitor", 16384); stracpy(_psd_monitor_var._type, "PSD_monitor", 16384); _psd_monitor_var._index=30; int current_setpos_index = 30; if("psd" && strlen("psd")) stracpy(_psd_monitor_var._parameters.filename, "psd" ? "psd" : "", 16384); else _psd_monitor_var._parameters.filename[0]='\0'; _psd_monitor_var._parameters.xwidth = 0.004; _psd_monitor_var._parameters.yheight = 0.004; _psd_monitor_var._parameters.radius = 0; _psd_monitor_var._parameters.restore_xray = 1; _psd_monitor_var._parameters.nowritefile = 0; _psd_monitor_var._parameters.nx = 100; _psd_monitor_var._parameters.ny = 100; _psd_monitor_var._parameters.nr = 0; /* component psd_monitor=PSD_monitor() AT ROTATED */ { Coords tc1, tc2; tc1 = coords_set(0,0,0); tc2 = coords_set(0,0,0); Rotation tr1; rot_set_rotation(tr1,0,0,0); rot_set_rotation(tr1, (0.0)*DEG2RAD, (0.0)*DEG2RAD, (0.0)*DEG2RAD); rot_mul(tr1, _EnergyMonitor_after_sample_var._rotation_absolute, _psd_monitor_var._rotation_absolute); rot_transpose(_EnergyMonitor_after_sample_var._rotation_absolute, tr1); rot_mul(_psd_monitor_var._rotation_absolute, tr1, _psd_monitor_var._rotation_relative); _psd_monitor_var._rotation_is_identity = rot_test_identity(_psd_monitor_var._rotation_relative); tc1 = coords_set( 0, 0, 0); rot_transpose(_EnergyMonitor_after_sample_var._rotation_absolute, tr1); tc2 = rot_apply(tr1, tc1); _psd_monitor_var._position_absolute = coords_add(_EnergyMonitor_after_sample_var._position_absolute, tc2); tc1 = coords_sub(_EnergyMonitor_after_sample_var._position_absolute, _psd_monitor_var._position_absolute); _psd_monitor_var._position_relative = rot_apply(_psd_monitor_var._rotation_absolute, tc1); } /* psd_monitor=PSD_monitor() AT ROTATED */ DEBUG_COMPONENT("psd_monitor", _psd_monitor_var._position_absolute, _psd_monitor_var._rotation_absolute); instrument->_position_absolute[30] = _psd_monitor_var._position_absolute; instrument->_position_relative[30] = _psd_monitor_var._position_relative; _psd_monitor_var._position_relative_is_zero = coords_test_zero(_psd_monitor_var._position_relative); instrument->counter_N[30] = instrument->counter_P[30] = instrument->counter_P2[30] = 0; instrument->counter_AbsorbProp[30]= 0; #ifdef USE_NEXUS if(nxhandle) { if ((!mcdotrace) && mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mccomp_placement_type_nexus(nxhandle,"0029_psd_monitor", _psd_monitor_var._position_absolute, _psd_monitor_var._rotation_absolute, "PSD_monitor"); mccomp_param_nexus(nxhandle,"0029_psd_monitor", "filename", 0, "psd", "char*"); mccomp_param_nexus(nxhandle,"0029_psd_monitor", "xwidth", "0.05", "0.004","MCNUM"); mccomp_param_nexus(nxhandle,"0029_psd_monitor", "yheight", "0.05", "0.004","MCNUM"); mccomp_param_nexus(nxhandle,"0029_psd_monitor", "radius", "0", "0","MCNUM"); mccomp_param_nexus(nxhandle,"0029_psd_monitor", "restore_xray", "1", "1","MCNUM"); mccomp_param_nexus(nxhandle,"0029_psd_monitor", "nowritefile", "0", "0","int"); mccomp_param_nexus(nxhandle,"0029_psd_monitor", "nx", "90", "100","int"); mccomp_param_nexus(nxhandle,"0029_psd_monitor", "ny", "90", "100","int"); mccomp_param_nexus(nxhandle,"0029_psd_monitor", "nr", "0", "0","int"); ); } } else { // fprintf(stderr,"NO NEXUS FILE"); } #endif return(0); } /* _psd_monitor_setpos */ _class_Progress_bar *class_Progress_bar_init(_class_Progress_bar *_comp ) { #define profile (_comp->_parameters.profile) #define percent (_comp->_parameters.percent) #define flag_save (_comp->_parameters.flag_save) #define minutes (_comp->_parameters.minutes) #define IntermediateCnts (_comp->_parameters.IntermediateCnts) #define StartTime (_comp->_parameters.StartTime) #define EndTime (_comp->_parameters.EndTime) #define CurrentTime (_comp->_parameters.CurrentTime) #define infostring (_comp->_parameters.infostring) SIG_MESSAGE("[_Origin_init] component Origin=Progress_bar() INITIALISE [Progress_bar:0]"); IntermediateCnts = 0; StartTime = 0; EndTime = 0; CurrentTime = 0; fprintf (stdout, "[%s] Initialize\n", instrument_name); if (percent * mcget_ncount () / 100 < 1e5) { percent = 1e5 * 100.0 / mcget_ncount (); } #ifdef OPENACC time (&StartTime); #endif #ifdef USE_MPI sprintf (infostring, "(%i MPI processes) ", mpi_node_count); #else sprintf (infostring, ""); #endif #undef profile #undef percent #undef flag_save #undef minutes #undef IntermediateCnts #undef StartTime #undef EndTime #undef CurrentTime #undef infostring return(_comp); } /* class_Progress_bar_init */ _class_Bending_magnet *class_Bending_magnet_init(_class_Bending_magnet *_comp ) { #define E0 (_comp->_parameters.E0) #define dE (_comp->_parameters.dE) #define lambda0 (_comp->_parameters.lambda0) #define dlambda (_comp->_parameters.dlambda) #define phase (_comp->_parameters.phase) #define randomphase (_comp->_parameters.randomphase) #define Ee (_comp->_parameters.Ee) #define Ie (_comp->_parameters.Ie) #define B (_comp->_parameters.B) #define sigey (_comp->_parameters.sigey) #define sigex (_comp->_parameters.sigex) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define dist (_comp->_parameters.dist) #define gauss_t (_comp->_parameters.gauss_t) #define gamma (_comp->_parameters.gamma) #define gamma2 (_comp->_parameters.gamma2) #define igamma (_comp->_parameters.igamma) #define kc (_comp->_parameters.kc) #define s1x (_comp->_parameters.s1x) #define s1y (_comp->_parameters.s1y) #define p0 (_comp->_parameters.p0) SIG_MESSAGE("[_Source_init] component Source=Bending_magnet() INITIALISE [Bending_magnet:0]"); // fprintf(stderr,"Warning (%s): Bending_magnet is an experimental component - testing is ongoing\n",NAME_CURRENT_COMP); if (B <= 0 || Ee <= 0 || Ie <= 0) { fprintf (stderr, "Error (%s): B, Ee, and Ie must all be >= 0. Found (%g %g %g). Aborting.\n", NAME_CURRENT_COMP, B, Ee, Ie); exit (1); } if (sigex < 0 || sigey < 0) { fprintf (stderr, "Error (%s): sigex and sigey must be > 0. Negative beam size isn't meaningful. Aborting.\n", NAME_CURRENT_COMP); exit (1); } if (dist <= 0) { fprintf (stderr, "Error (%s): Target undefined.\n", NAME_CURRENT_COMP); exit (1); } /*compute gamma*/ gamma = (Ee * 1e9) / (MELECTRON / CELE * M_C * M_C); /*the extra CELE is to convert to eV*/ gamma2 = gamma * gamma; igamma = 1.0 / gamma; // printf("Bending_magnet (%s): gamma=%g, divergence is 1/gamma=%g rad.\n",NAME_CURRENT_COMP,gamma,igamma); /*compute characteristic energy in keV*/ double Ec = 0.665 * Ee * Ee * B; // double Ec=1.5*gamma2*HBAR*CELE*B/MELECTRON *1e-3; /*check units on this one. The 1e-3 factor is because energy is assumed to be in keV*/ /*We normally do computations in k so use that for transfer*/ kc = E2K * Ec; s1x = sqrt (sigex * sigex + igamma * igamma * dist * dist); s1y = sqrt (sigey * sigey + igamma * igamma * dist * dist); p0 = 1.0 / mcget_ncount (); #undef E0 #undef dE #undef lambda0 #undef dlambda #undef phase #undef randomphase #undef Ee #undef Ie #undef B #undef sigey #undef sigex #undef focus_xw #undef focus_yh #undef dist #undef gauss_t #undef gamma #undef gamma2 #undef igamma #undef kc #undef s1x #undef s1y #undef p0 return(_comp); } /* class_Bending_magnet_init */ _class_Slit *class_Slit_init(_class_Slit *_comp ) { #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define radius (_comp->_parameters.radius) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define dist (_comp->_parameters.dist) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define focus_x0 (_comp->_parameters.focus_x0) #define focus_y0 (_comp->_parameters.focus_y0) SIG_MESSAGE("[_slit1_init] component slit1=Slit() INITIALISE [Slit:0]"); if (xwidth > 0) { if (!xmin && !xmax) { xmax = xwidth / 2; xmin = -xmax; } else { fprintf (stderr, "Slit: %s: Error: please specify EITHER xmin & xmax or xwidth\n", NAME_CURRENT_COMP); exit (-1); } } if (yheight > 0) { if (!ymin && !ymax) { ymax = yheight / 2; ymin = -ymax; } else { fprintf (stderr, "Slit: %s: Error: please specify EITHER ymin & ymax or ywidth\n", NAME_CURRENT_COMP); exit (-1); } } if (xmin == 0 && xmax == 0 && ymin == 0 && ymax == 0 && radius == 0) { fprintf (stderr, "Slit: %s: Warning: Running with CLOSED slit - is this intentional?? \n", NAME_CURRENT_COMP); } if ((focus_xw || focus_yh) && !((focus_xw && dist) || (focus_yh && dist))) { fprintf (stderr, "Error (%s): Inconsistent target definition\n", NAME_CURRENT_COMP); exit (-1); } #undef xmin #undef xmax #undef ymin #undef ymax #undef radius #undef xwidth #undef yheight #undef dist #undef focus_xw #undef focus_yh #undef focus_x0 #undef focus_y0 return(_comp); } /* class_Slit_init */ _class_Mirror_toroid_pothole *class_Mirror_toroid_pothole_init(_class_Mirror_toroid_pothole *_comp ) { #define zdepth (_comp->_parameters.zdepth) #define xwidth (_comp->_parameters.xwidth) #define radius (_comp->_parameters.radius) #define radius_o (_comp->_parameters.radius_o) #define R0 (_comp->_parameters.R0) #define coating (_comp->_parameters.coating) #define prms (_comp->_parameters.prms) #define reflec_table (_comp->_parameters.reflec_table) #define re (_comp->_parameters.re) SIG_MESSAGE("[_mirror_m1_init] component mirror_m1=Mirror_toroid_pothole() INITIALISE [Mirror_toroid_pothole:0]"); if (coating && strlen (coating)) { char** header_parsed; t_Table* tp = &reflec_table; /* read 1st block data from file into tp */ if (Table_Read (tp, coating, 1) <= 0) { exit (fprintf (stderr, "Error: %s: cannot read file %s\n", NAME_CURRENT_COMP, coating)); } header_parsed = Table_ParseHeader (tp->header, "e_min=", "e_max=", "e_step=", "theta_min=", "theta_max=", "theta_step=", NULL); if (header_parsed[0] && header_parsed[1] && header_parsed[2] && header_parsed[3] && header_parsed[4] && header_parsed[5]) { prms.e_min = strtod (header_parsed[0], NULL); prms.e_max = strtod (header_parsed[1], NULL); prms.e_step = strtod (header_parsed[2], NULL); prms.theta_min = strtod (header_parsed[3], NULL); prms.theta_max = strtod (header_parsed[4], NULL); prms.theta_step = strtod (header_parsed[5], NULL); } else { exit (fprintf (stderr, "Error: %s: wrong/missing header line(s) in file %s\n", NAME_CURRENT_COMP, coating)); } if (((tp->rows - 2) * prms.e_step) > (prms.e_max - prms.e_min)) { exit (fprintf (stderr, "Error: %s: e_step does not match e_min and e_max in file %s (<)\n", NAME_CURRENT_COMP, coating)); } if ((prms.e_max - prms.e_min) > ((tp->rows) * prms.e_step)) { exit (fprintf (stderr, "Error: %s: e_step does not match e_min and e_max in file %s (>)\n", NAME_CURRENT_COMP, coating)); } if (((tp->columns - 2) * prms.theta_step) > (prms.theta_max - prms.theta_min)) { exit (fprintf (stderr, "Error: %s: theta_step does not match theta_min and theta_max in file %s (<)\n", NAME_CURRENT_COMP, coating)); } if ((prms.theta_max - prms.theta_min) > ((tp->columns) * prms.theta_step)) { exit (fprintf (stderr, "Error: %s: theta_step does not match theta_min and theta_max in file %s (>)\n", NAME_CURRENT_COMP, coating)); } prms.use_reflec_table = 1; } else { prms.use_reflec_table = 0; } #undef zdepth #undef xwidth #undef radius #undef radius_o #undef R0 #undef coating #undef prms #undef reflec_table #undef re return(_comp); } /* class_Mirror_toroid_pothole_init */ _class_PSD_monitor *class_PSD_monitor_init(_class_PSD_monitor *_comp ) { #define filename (_comp->_parameters.filename) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define radius (_comp->_parameters.radius) #define restore_xray (_comp->_parameters.restore_xray) #define nowritefile (_comp->_parameters.nowritefile) #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define nr (_comp->_parameters.nr) #define PSD_N (_comp->_parameters.PSD_N) #define PSD_p (_comp->_parameters.PSD_p) #define PSD_p2 (_comp->_parameters.PSD_p2) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) SIG_MESSAGE("[_slit3_xy_init] component slit3_xy=PSD_monitor() INITIALISE [PSD_monitor:0]"); int i, j; double *p1, *p2, *p3; xmax = xwidth / 2; xmin = -xmax; ymax = yheight / 2; ymin = -ymax; if (((xmin >= xmax) || (ymin >= ymax)) && !radius) { fprintf (stderr, "ERROR (%s): Null detection area! Aborting.\n", NAME_CURRENT_COMP); exit (-1); } if (!radius) { PSD_N = create_darr2d (nx, ny); PSD_p = create_darr2d (nx, ny); PSD_p2 = create_darr2d (nx, ny); } else { PSD_N = create_darr2d (1, nr); PSD_p = create_darr2d (1, nr); PSD_p2 = create_darr2d (1, nr); } // Use instance name for monitor output if no input was given if (!strcmp (filename, "\0")) sprintf (filename, "%s", NAME_CURRENT_COMP); #undef filename #undef xwidth #undef yheight #undef radius #undef restore_xray #undef nowritefile #undef nx #undef ny #undef nr #undef PSD_N #undef PSD_p #undef PSD_p2 #undef xmin #undef xmax #undef ymin #undef ymax return(_comp); } /* class_PSD_monitor_init */ _class_Divergence_monitor *class_Divergence_monitor_init(_class_Divergence_monitor *_comp ) { #define nh (_comp->_parameters.nh) #define nv (_comp->_parameters.nv) #define rad (_comp->_parameters.rad) #define filename (_comp->_parameters.filename) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define maxdiv_h (_comp->_parameters.maxdiv_h) #define maxdiv_v (_comp->_parameters.maxdiv_v) #define restore_xray (_comp->_parameters.restore_xray) #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define nz (_comp->_parameters.nz) #define nowritefile (_comp->_parameters.nowritefile) #define Div_N (_comp->_parameters.Div_N) #define Div_p (_comp->_parameters.Div_p) #define Div_p2 (_comp->_parameters.Div_p2) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) SIG_MESSAGE("[_slit3_div_init] component slit3_div=Divergence_monitor() INITIALISE [Divergence_monitor:0]"); int i, j; xmax = xwidth / 2; xmin = -xmax; ymax = yheight / 2; ymin = -ymax; if ((xmin >= xmax) || (ymin >= ymax)) { printf ("ERROR: (%s): Null detection area! Exiting.\n", NAME_CURRENT_COMP); exit (-1); } Div_N = create_darr2d (nh, nv); Div_p = create_darr2d (nh, nv); Div_p2 = create_darr2d (nh, nv); NORM (nx, ny, nz); // Use instance name for monitor output if no input was given if (!strcmp (filename, "\0")) sprintf (filename, "%s", NAME_CURRENT_COMP); #undef nh #undef nv #undef rad #undef filename #undef xwidth #undef yheight #undef maxdiv_h #undef maxdiv_v #undef restore_xray #undef nx #undef ny #undef nz #undef nowritefile #undef Div_N #undef Div_p #undef Div_p2 #undef xmin #undef xmax #undef ymin #undef ymax return(_comp); } /* class_Divergence_monitor_init */ _class_Mirror *class_Mirror_init(_class_Mirror *_comp ) { #define zdepth (_comp->_parameters.zdepth) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define coating (_comp->_parameters.coating) #define R0 (_comp->_parameters.R0) #define geometry (_comp->_parameters.geometry) #define re (_comp->_parameters.re) #define offdata (_comp->_parameters.offdata) #define shape (_comp->_parameters.shape) SIG_MESSAGE("[_mirror_m2a_init] component mirror_m2a=Mirror() INITIALISE [Mirror:0]"); int status = 0; if (coating && strlen (coating) && strcmp (coating, "NULL")) { status = reflec_Init (&re, COATING_UNDEFINED, coating, NULL); } else { /*assume a constant reflectivity*/ status = reflec_Init_const (&re, R0); } if (status != 0) { fprintf (stderr, "ERROR (%s): Could not interpret reflectivity. Aborting.\n", NAME_CURRENT_COMP); exit (-1); } if (geometry && strlen (geometry) && strcmp (geometry, "NULL") && strcmp (geometry, "0")) { if (off_init (geometry, xwidth, yheight, zdepth, 0, &(offdata))) shape = ANY; else exit (fprintf (stderr, "ERROR (%s): Could not import geometry file %s\n", NAME_CURRENT_COMP, geometry)); } else if (yheight || xwidth) shape = CUBE; else exit (fprintf (stderr, "ERROR (%s): invalid Mirror dimensions. Aborting.\n", NAME_CURRENT_COMP)); #undef zdepth #undef xwidth #undef yheight #undef coating #undef R0 #undef geometry #undef re #undef offdata #undef shape return(_comp); } /* class_Mirror_init */ _class_Bragg_crystal *class_Bragg_crystal_init(_class_Bragg_crystal *_comp ) { #define length (_comp->_parameters.length) #define width (_comp->_parameters.width) #define V (_comp->_parameters.V) #define form_factors (_comp->_parameters.form_factors) #define material (_comp->_parameters.material) #define alpha (_comp->_parameters.alpha) #define R0 (_comp->_parameters.R0) #define debye_waller_B (_comp->_parameters.debye_waller_B) #define crystal_type (_comp->_parameters.crystal_type) #define h (_comp->_parameters.h) #define k (_comp->_parameters.k) #define l (_comp->_parameters.l) #define structure_factor_scale_r (_comp->_parameters.structure_factor_scale_r) #define structure_factor_scale_i (_comp->_parameters.structure_factor_scale_i) #define Z (_comp->_parameters.Z) #define rho (_comp->_parameters.rho) #define At (_comp->_parameters.At) #define f_rel (_comp->_parameters.f_rel) #define f_nt (_comp->_parameters.f_nt) #define m_t (_comp->_parameters.m_t) #define f0_t (_comp->_parameters.f0_t) SIG_MESSAGE("[_bragg_crystal_init] component bragg_crystal=Bragg_crystal() INITIALISE [Bragg_crystal:0]"); int status; if (material) { if ((status = Table_Read (&(m_t), material, 0)) == -1) { fprintf (stderr, "Error(%s): Could not parse file \"%s\"\n", NAME_CURRENT_COMP, material); exit (-1); } char** header_parsed; header_parsed = Table_ParseHeader (m_t.header, "Z", "A[r]", "rho", "Z/A", "sigma[a]", NULL); if (header_parsed[2]) { rho = strtod (header_parsed[2], NULL); } if (header_parsed[0]) { Z = strtod (header_parsed[0], NULL); } if (header_parsed[1]) { At = strtod (header_parsed[1], NULL); } } else { fprintf (stderr, "Error(%s): No material file specified\n", NAME_CURRENT_COMP); } if (form_factors) { if ((status = Table_Read (&(f0_t), form_factors, 0)) == -1) { fprintf (stderr, "Error(%s): Could not parse file \"%s\"\n", NAME_CURRENT_COMP, form_factors); exit (-1); } } #undef length #undef width #undef V #undef form_factors #undef material #undef alpha #undef R0 #undef debye_waller_B #undef crystal_type #undef h #undef k #undef l #undef structure_factor_scale_r #undef structure_factor_scale_i #undef Z #undef rho #undef At #undef f_rel #undef f_nt #undef m_t #undef f0_t return(_comp); } /* class_Bragg_crystal_init */ _class_Mirror_curved *class_Mirror_curved_init(_class_Mirror_curved *_comp ) { #define radius (_comp->_parameters.radius) #define R0 (_comp->_parameters.R0) #define coating (_comp->_parameters.coating) #define zdepth (_comp->_parameters.zdepth) #define yheight (_comp->_parameters.yheight) #define length (_comp->_parameters.length) #define width (_comp->_parameters.width) #define Z (_comp->_parameters.Z) #define At (_comp->_parameters.At) #define rho (_comp->_parameters.rho) #define T (_comp->_parameters.T) #define re (_comp->_parameters.re) SIG_MESSAGE("[_mirror_m2b_init] component mirror_m2b=Mirror_curved() INITIALISE [Mirror_curved:0]"); int status; if (coating && strlen (coating)) { status = reflec_Init (&re, COATING_UNDEFINED, coating, NULL); } else { /*assume a constant reflectivity*/ status = reflec_Init (&re, CONSTANT, NULL, &(R0)); } if (!radius) radius = 1e6; // compatibility with older use if (length) zdepth = length; if (width) yheight = width; #undef radius #undef R0 #undef coating #undef zdepth #undef yheight #undef length #undef width #undef Z #undef At #undef rho #undef T #undef re return(_comp); } /* class_Mirror_curved_init */ _class_Monitor_nD *class_Monitor_nD_init(_class_Monitor_nD *_comp ) { #define user1 (_comp->_parameters.user1) #define user2 (_comp->_parameters.user2) #define user3 (_comp->_parameters.user3) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define bins (_comp->_parameters.bins) #define min (_comp->_parameters.min) #define max (_comp->_parameters.max) #define restore_xray (_comp->_parameters.restore_xray) #define radius (_comp->_parameters.radius) #define options (_comp->_parameters.options) #define filename (_comp->_parameters.filename) #define geometry (_comp->_parameters.geometry) #define nowritefile (_comp->_parameters.nowritefile) #define username1 (_comp->_parameters.username1) #define username2 (_comp->_parameters.username2) #define username3 (_comp->_parameters.username3) #define DEFS (_comp->_parameters.DEFS) #define Vars (_comp->_parameters.Vars) #define detector (_comp->_parameters.detector) #define offdata (_comp->_parameters.offdata) SIG_MESSAGE("[_EnergyMonitor_before_sample_init] component EnergyMonitor_before_sample=Monitor_nD() INITIALISE [Monitor_nD:0]"); char tmp[CHAR_BUF_LENGTH]; strcpy (Vars.compcurname, NAME_CURRENT_COMP); Vars.compcurindex = INDEX_CURRENT_COMP; if (options != NULL) strncpy (Vars.option, options, CHAR_BUF_LENGTH); else { strcpy (Vars.option, "x y"); printf ("Monitor_nD: %s has no option specified. Setting to PSD ('x y') monitor.\n", NAME_CURRENT_COMP); } Vars.compcurpos = POS_A_CURRENT_COMP; if (strstr (Vars.option, "source")) strcat (Vars.option, " list, x y z kx ky kz phi t Ex Ey Ez "); if (bins) { sprintf (tmp, " all bins=%ld ", (long)bins); strcat (Vars.option, tmp); } if (min > -FLT_MAX && max < FLT_MAX) { sprintf (tmp, " all limits=[%g %g]", min, max); strcat (Vars.option, tmp); } else if (min > -FLT_MAX) { sprintf (tmp, " all min=%g", min); strcat (Vars.option, tmp); } else if (max < FLT_MAX) { sprintf (tmp, " all max=%g", max); strcat (Vars.option, tmp); } /* transfer, "zero", and check username- and user variable strings to Vars struct*/ strncpy (Vars.UserName1, username1&& strlen (username1) && strcmp (username1, "0") && strcmp (username1, "NULL") ? username1 : "", 128); strncpy (Vars.UserName2, username2&& strlen (username2) && strcmp (username2, "0") && strcmp (username2, "NULL") ? username2 : "", 128); strncpy (Vars.UserName3, username3&& strlen (username3) && strcmp (username3, "0") && strcmp (username3, "NULL") ? username3 : "", 128); if (user1 && strlen (user1) && strcmp (user1, "0") && strcmp (user1, "NULL")) { strncpy (Vars.UserVariable1, user1, 128); int fail; _class_particle testparticle; particle_getvar (&testparticle, Vars.UserVariable1, &fail); if (fail) { fprintf (stderr, "Warning (%s): user1=%s is unknown. The signal will not be resolved - this is likely not what you intended.\n", NAME_CURRENT_COMP, user1); } } if (user2 && strlen (user2) && strcmp (user2, "0") && strcmp (user2, "NULL")) { strncpy (Vars.UserVariable2, user2, 128); int fail; _class_particle testparticle; particle_getvar (&testparticle, Vars.UserVariable2, &fail); if (fail) { fprintf (stderr, "Warning (%s): user2=%s is unknown. The signal will not be resolved - this is likely not what you intended.\n", NAME_CURRENT_COMP, user2); } } if (user3 && strlen (user3) && strcmp (user3, "0") && strcmp (user3, "NULL")) { strncpy (Vars.UserVariable3, user3, 128); int fail; _class_particle testparticle; particle_getvar (&testparticle, Vars.UserVariable3, &fail); if (fail) { fprintf (stderr, "Warning (%s): user3=%s is unknown. The signal will not be resolved - this is likely not what you intended.\n", NAME_CURRENT_COMP, user3); } } /*sanitize parameters set for curved shapes*/ if (strstr (Vars.option, "cylinder") || strstr (Vars.option, "banana") || strstr (Vars.option, "sphere")) { /*this _is_ an explicit curved shape. Should have a radius. Inherit from xwidth or zdepth (diameters), x has precedence.*/ if (!radius) { if (xwidth) { radius = xwidth / 2.0; } else { radius = zdepth / 2.0; } } else { /*radius is set - propagate to xwidth. It is used inside monitor_nd-lib*/ xwidth = 2 * radius; } if (!yheight) { /*if not set - use the diameter as height for the curved object. This will likely only happen for spheres*/ yheight = 2 * radius; } } else if (radius) { /*radius is set - this must be curved shape then. Infer shape from yheight*/ xwidth = zdepth = 2 * radius; if (yheight) { /*a height is given (and no shape explitly set - assume cylinder*/ strcat (Vars.option, " banana"); } else { strcat (Vars.option, " sphere"); yheight = 2 * radius; } } int offflag = 0; if (geometry && strlen (geometry) && strcmp (geometry, "0") && strcmp (geometry, "NULL")) { #ifndef USE_OFF fprintf (stderr, "Error: You are attempting to use an OFF geometry without -DUSE_OFF. You will need to recompile with that define set!\n"); exit (-1); #else if (!off_init (geometry, xwidth, yheight, zdepth, 1, &offdata)) { printf ("Monitor_nD: %s could not initiate the OFF geometry %s. \n" " Defaulting to normal Monitor dimensions.\n", NAME_CURRENT_COMP, geometry); strcpy (geometry, ""); } else { offflag = 1; } #endif } if (!radius && !xwidth && !yheight && !zdepth && !strstr (Vars.option, "previous") && (!geometry || !strlen (geometry))) exit (printf ("Monitor_nD: %s has no dimension specified. Aborting (radius, xwidth, yheight, zdepth, previous, geometry).\n", NAME_CURRENT_COMP)); Monitor_nD_Init (&DEFS, &Vars, xwidth, yheight, zdepth, 0, 0, 0, 0, 0, 0, offflag); if (filename && strlen (filename) && strcmp (filename, "NULL") && strcmp (filename, "0")) strncpy (Vars.Mon_File, filename, 128); /* check if user given filename with ext will be used more than once */ if (((Vars.Flag_Multiple && Vars.Coord_Number > 1) || Vars.Flag_List) && strchr (Vars.Mon_File, '.')) { char* XY; XY = strrchr (Vars.Mon_File, '.'); *XY = '_'; } if (restore_xray) Vars.Flag_parallel = 1; detector.m = 0; #ifdef USE_MPI MPI_MASTER (if (strstr (Vars.option, "auto") && mpi_node_count > 1) printf ("Monitor_nD: %s is using automatic limits option 'auto' together with MPI.\n" "WARNING this may create incorrect distributions (but integrated flux will be right).\n", NAME_CURRENT_COMP);); #else #ifdef OPENACC if (strstr (Vars.option, "auto")) printf ("Monitor_nD: %s is requesting automatic limits option 'auto' together with OpenACC.\n" "WARNING this feature is NOT supported using OpenACC and has been disabled!\n", NAME_CURRENT_COMP); #endif #endif #undef user1 #undef user2 #undef user3 #undef xwidth #undef yheight #undef zdepth #undef bins #undef min #undef max #undef restore_xray #undef radius #undef options #undef filename #undef geometry #undef nowritefile #undef username1 #undef username2 #undef username3 #undef DEFS #undef Vars #undef detector #undef offdata return(_comp); } /* class_Monitor_nD_init */ _class_Fluorescence *class_Fluorescence_init(_class_Fluorescence *_comp ) { #define geometry (_comp->_parameters.geometry) #define radius (_comp->_parameters.radius) #define thickness (_comp->_parameters.thickness) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define concentric (_comp->_parameters.concentric) #define material (_comp->_parameters.material) #define packing_factor (_comp->_parameters.packing_factor) #define rho (_comp->_parameters.rho) #define density (_comp->_parameters.density) #define weight (_comp->_parameters.weight) #define p_interact (_comp->_parameters.p_interact) #define target_x (_comp->_parameters.target_x) #define target_y (_comp->_parameters.target_y) #define target_z (_comp->_parameters.target_z) #define focus_r (_comp->_parameters.focus_r) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define focus_aw (_comp->_parameters.focus_aw) #define focus_ah (_comp->_parameters.focus_ah) #define target_index (_comp->_parameters.target_index) #define flag_compton (_comp->_parameters.flag_compton) #define flag_rayleigh (_comp->_parameters.flag_rayleigh) #define flag_lorentzian (_comp->_parameters.flag_lorentzian) #define flag_kissel (_comp->_parameters.flag_kissel) #define flag_low_z (_comp->_parameters.flag_low_z) #define order (_comp->_parameters.order) #define compound (_comp->_parameters.compound) #define cum_massFractions (_comp->_parameters.cum_massFractions) #define cum_xs_fluo (_comp->_parameters.cum_xs_fluo) #define cum_xs_Compton (_comp->_parameters.cum_xs_Compton) #define cum_xs_Rayleigh (_comp->_parameters.cum_xs_Rayleigh) #define xs_fluo (_comp->_parameters.xs_fluo) #define xs_Compton (_comp->_parameters.xs_Compton) #define xs_Rayleigh (_comp->_parameters.xs_Rayleigh) #define shape (_comp->_parameters.shape) #define offdata (_comp->_parameters.offdata) #define n_fluo (_comp->_parameters.n_fluo) #define n_Compton (_comp->_parameters.n_Compton) #define n_Rayleigh (_comp->_parameters.n_Rayleigh) #define p_fluo (_comp->_parameters.p_fluo) #define p_Compton (_comp->_parameters.p_Compton) #define p_Rayleigh (_comp->_parameters.p_Rayleigh) #define reuse_nb (_comp->_parameters.reuse_nb) #define reuse_intersect (_comp->_parameters.reuse_intersect) #define reuse_ki (_comp->_parameters.reuse_ki) #define reuse_l0 (_comp->_parameters.reuse_l0) #define reuse_l1 (_comp->_parameters.reuse_l1) #define reuse_l2 (_comp->_parameters.reuse_l2) #define reuse_l3 (_comp->_parameters.reuse_l3) #define reuse_sigma_barn (_comp->_parameters.reuse_sigma_barn) #define reuse_cum_xs_fluo (_comp->_parameters.reuse_cum_xs_fluo) #define reuse_cum_xs_Compton (_comp->_parameters.reuse_cum_xs_Compton) #define reuse_cum_xs_Rayleigh (_comp->_parameters.reuse_cum_xs_Rayleigh) #define reuse_xs_fluo (_comp->_parameters.reuse_xs_fluo) #define reuse_xs_Compton (_comp->_parameters.reuse_xs_Compton) #define reuse_xs_Rayleigh (_comp->_parameters.reuse_xs_Rayleigh) SIG_MESSAGE("[_absorption_sample_init] component absorption_sample=Fluorescence() INITIALISE [Fluorescence:0]"); /* energies en [keV], angles in [radians], XRL CSb cross sections are in [barn/atom] */ xrl_error *error = NULL; int i; XRayInit(); shape=-1; /* -1:no shape, 0:cyl, 1:box, 2:sphere, 3:any-shape */ if (geometry && strlen(geometry) && strcmp(geometry, "NULL") && strcmp(geometry, "0")) { #ifndef USE_OFF fprintf(stderr,"Error: You are attempting to use an OFF geometry without -DUSE_OFF. You will need to recompile with that define set!\n"); exit(-1); #else if (off_init(geometry, xwidth, yheight, zdepth, 0, &offdata)) { shape=3; thickness=0; concentric=0; } #endif } else if (xwidth && yheight && zdepth) shape=1; /* box */ else if (radius > 0 && yheight) shape=0; /* cylinder */ else if (radius > 0 && !yheight) shape=2; /* sphere */ if (shape < 0) exit(fprintf(stderr,"Fluorescence: %s: sample has invalid dimensions.\n" "ERROR Please check parameter values (xwidth, yheight, zdepth, radius).\n", NAME_CURRENT_COMP)); if (!material || !strlen(material) || !strcmp(material, "NULL") || !strcmp(material, "0")) exit(fprintf(stderr, "Fluorescence: ERROR: %s: Null material specification.\n", NAME_CURRENT_COMP)); if (order > 1 && flag_lorentzian) fprintf(stderr, "Fluorescence: WARNING: %s: Using flag_lorentzian=1 Lorentzian line-shape with order>1 may create artifacts.\n", NAME_CURRENT_COMP); // test if the material is given as a file char path[1024]; char formula[65536]; formula[0]='\0'; FILE *file = Open_File(material, "r", path); if (file != NULL) { fclose(file); // open the material structure file (laz/lau/cif...) // search (case sensitive) along lines if (!fluo_get_material(material, formula)) exit(fprintf(stderr, "ERROR: %s: file %s does not contain material formulae.\n", NAME_CURRENT_COMP, material)); MPI_MASTER( fprintf(stderr, "Fluorescence: INFO: %s: found material %s from file %s\n", NAME_CURRENT_COMP, formula, material); ); strcpy(material, formula); // CIF: _chemical_formula_structural 'chemical_formulae' // CIF: _chemical_formula_sum 'chemical_formulae' // LAZ/LAU: # ATOM // LAZ/LAU: # Atom // LAZ/LAU: # TITLE ... [ trailing...] // CFL: Title // CFL: Atom } compound = CompoundParser(material, &error); /* XRayLib */ if (error != NULL) { exit(fprintf(stderr, "ERROR: %s: Invalid material %s: %s\n", NAME_CURRENT_COMP, material, error->message)); } xrl_error_free(error); /* compute total density for raw material and display information ========= */ if (weight <= 0) weight = compound->molarMass; /* g/mol */ MPI_MASTER( printf("%s: Material %s mass fractions:\n", NAME_CURRENT_COMP, material); ) double mat_density = 0; /* g/cm3 */ double sum_massFractions = 0; cum_massFractions = create_darr1d(compound->nElements+1); cum_xs_fluo = create_darr1d(compound->nElements+1); cum_xs_Compton = create_darr1d(compound->nElements+1); cum_xs_Rayleigh = create_darr1d(compound->nElements+1); xs_fluo = create_darr1d(compound->nElements+1); xs_Compton = create_darr1d(compound->nElements+1); xs_Rayleigh = create_darr1d(compound->nElements+1); cum_massFractions[0] = 0; /* print material information, and check for elements */ for (i=0; i< compound->nElements; i++) { int Z = compound->Elements[i]; error = NULL; double Z_dens = ElementDensity(Z, &error); if (error != NULL) exit(fprintf(stderr, "ERROR: %s: Z=%i %s\n", NAME_CURRENT_COMP, Z, error->message)); mat_density += compound->massFractions[i]*Z_dens; sum_massFractions += compound->massFractions[i]; cum_massFractions[i+1] = sum_massFractions; MPI_MASTER( printf(" | %6.2g %%: Z=%3i %3s %8.3g [g/mol] %8.3g [g/cm3]\n", compound->massFractions[i]*100, Z, AtomicNumberToSymbol(Z,NULL), AtomicWeight(Z, NULL), Z_dens); ) } xrl_error_free(error); if (density <= 0) density = mat_density; /* g/cm3 */ if (packing_factor <= 0) packing_factor = density/mat_density; /* molar volume [cm^3/mol] = weight [g/mol] / density [g/cm^3] */ /* atom density per Angs^3 = [mol/cm^3] * N_Avogadro *(1e-8)^3 */ if (!rho) rho = density/weight/1e24*NA; // atom density [at/Angs-3] MPI_MASTER( printf("%s: Material %s M=%g [g/mol] density=%g [g/cm3] rho=%g [at/Angs-3]", NAME_CURRENT_COMP, material, weight, density, rho); if (fabs(packing_factor-1) > 1e-2) printf(" packing_factor=%g", packing_factor); printf("\n"); ) if (0 < packing_factor && packing_factor < 1) rho *= packing_factor; /* target for scattering ================================================== */ if (!target_index && !target_x && !target_y && !target_z) target_index=1; if (target_index) { Coords ToTarget; ToTarget = coords_sub(POS_A_COMP_INDEX(INDEX_CURRENT_COMP+target_index),POS_A_CURRENT_COMP); ToTarget = rot_apply(ROT_A_CURRENT_COMP, ToTarget); coords_get(ToTarget, &target_x, &target_y, &target_z); } if (!(target_x || target_y || target_z)) { MPI_MASTER( printf("Fluorescence: %s: The target is not defined. Using 4PI.\n", NAME_CURRENT_COMP); ); } n_fluo = n_Compton = n_Rayleigh = 0; p_fluo = p_Compton = p_Rayleigh = 0; // cached variables set to 0 (for SPLIT) reuse_nb=0; reuse_ki=reuse_l0=reuse_l1=reuse_l2=reuse_l3=reuse_sigma_barn=0; reuse_cum_xs_fluo = create_darr1d(compound->nElements+1); reuse_cum_xs_Compton = create_darr1d(compound->nElements+1); reuse_cum_xs_Rayleigh = create_darr1d(compound->nElements+1); reuse_xs_fluo = create_darr1d(compound->nElements+1); reuse_xs_Compton = create_darr1d(compound->nElements+1); reuse_xs_Rayleigh = create_darr1d(compound->nElements+1); reuse_cum_xs_fluo[0]=reuse_cum_xs_Compton[0]=reuse_cum_xs_Rayleigh[0]=0; #undef geometry #undef radius #undef thickness #undef xwidth #undef yheight #undef zdepth #undef concentric #undef material #undef packing_factor #undef rho #undef density #undef weight #undef p_interact #undef target_x #undef target_y #undef target_z #undef focus_r #undef focus_xw #undef focus_yh #undef focus_aw #undef focus_ah #undef target_index #undef flag_compton #undef flag_rayleigh #undef flag_lorentzian #undef flag_kissel #undef flag_low_z #undef order #undef compound #undef cum_massFractions #undef cum_xs_fluo #undef cum_xs_Compton #undef cum_xs_Rayleigh #undef xs_fluo #undef xs_Compton #undef xs_Rayleigh #undef shape #undef offdata #undef n_fluo #undef n_Compton #undef n_Rayleigh #undef p_fluo #undef p_Compton #undef p_Rayleigh #undef reuse_nb #undef reuse_intersect #undef reuse_ki #undef reuse_l0 #undef reuse_l1 #undef reuse_l2 #undef reuse_l3 #undef reuse_sigma_barn #undef reuse_cum_xs_fluo #undef reuse_cum_xs_Compton #undef reuse_cum_xs_Rayleigh #undef reuse_xs_fluo #undef reuse_xs_Compton #undef reuse_xs_Rayleigh return(_comp); } /* class_Fluorescence_init */ int init(void) { /* called by mccode_main for SOLEIL_ROCK:INITIALISE */ DEBUG_INSTR(); // Initialise rng srandom(_hash(mcseed-1)); /* code_main/parseoptions/readparams sets instrument parameters value */ stracpy(instrument->_name, "SOLEIL_ROCK", 256); /* Instrument 'SOLEIL_ROCK' INITIALISE */ SIG_MESSAGE("[SOLEIL_ROCK] INITIALISE [(null):-1]"); #define E0 (instrument->_parameters.E0) #define dE (instrument->_parameters.dE) #define scan (instrument->_parameters.scan) #define angle_m2a_m2b (instrument->_parameters.angle_m2a_m2b) #define angle_m1 (instrument->_parameters.angle_m1) #define sample_file (instrument->_parameters.sample_file) #define reflec_material_M1 (instrument->_parameters.reflec_material_M1) #define reflec_material_M2A_M2B (instrument->_parameters.reflec_material_M2A_M2B) #define cc (instrument->_parameters.cc) { i_h=1; i_k=1; i_l=1; if(cc>=3){ //automatically select the right cc for the energy E0 if(E0<=15.516){ cc = 2; } else if (E0<=17.439){ cc = 1; } else if (E0<=34.055){ cc = 0; } } if(cc<=0){ //cc 220 Eminkev=5.62883; Emaxkev=46.2834; incr=0.995/(Emaxkev-Eminkev); n=8; i_h=2; i_k=2; i_l=0; length_first_crystal=70e-3; length_second_crystal=70e-3; center_first_crystal=20; dist_center_to_center = sqrt(0.01*0.01+0.07*0.07); /// center_to_c_mono_angle is arctan(e/(length_first_crystal/2 + length_second_crystal/2)) center_to_c_mono_angle=0.14189; } else if (cc<=1){ //cc long 111 Eminkev=3.44694; Emaxkev=28.3427; incr=0.995/(Emaxkev-Eminkev); n=3; length_first_crystal=70e-3; length_second_crystal=70e-3; center_first_crystal=18.92; dist_center_to_center = sqrt(0.01*0.01+0.07*0.07); center_to_c_mono_angle=0.14189; } else if (cc<=2){ //cc short 111 Eminkev=3.44694; Emaxkev=18.9143; incr=0.995/(Emaxkev-Eminkev); n=3; length_first_crystal=50e-3; length_second_crystal=70e-3; center_first_crystal=19.25; dist_center_to_center = sqrt(0.01*0.01+0.06*0.06); center_to_c_mono_angle=0.1651; } calculated_angle=RAD2DEG*asin(12.39842*sqrt(n)/(2*5.4309*E0)); if (!reflec_material_M2A_M2B || !strlen(reflec_material_M2A_M2B) || !strcmp(reflec_material_M2A_M2B, "NULL") || !strcmp(reflec_material_M2A_M2B, "0")) { if(E0<=7.98){ reflec_material_M2A_M2B="B4C.dat"; } else if (E0<=16.46){ reflec_material_M2A_M2B="Pd.dat"; } else if (E0>16.46){ reflec_material_M2A_M2B="Pt.dat"; } } MPI_MASTER( fprintf(stdout,"%s: Energy=%g [keV]\n" "\tM2 mirror=%s\n" "\tMonochromator Si<%i %i %i> angle %g [deg], config=%i\n", NAME_INSTRUMENT, E0, reflec_material_M2A_M2B, i_h,i_k,i_l, calculated_angle, cc); ); sprintf(e_repartition_options,"energy limits=[%g %g], y", E0-0.02*E0, E0+0.02*E0); } #undef E0 #undef dE #undef scan #undef angle_m2a_m2b #undef angle_m1 #undef sample_file #undef reflec_material_M1 #undef reflec_material_M2A_M2B #undef cc _Origin_setpos(); /* type Progress_bar */ _Source_setpos(); /* type Bending_magnet */ _slit1_setpos(); /* type Slit */ _slit2_setpos(); /* type Slit */ _mirror_m1_setpos(); /* type Mirror_toroid_pothole */ _mirror_m1_out_setpos(); /* type Arm */ _slit3_xy_setpos(); /* type PSD_monitor */ _slit3_div_setpos(); /* type Divergence_monitor */ _slit3_setpos(); /* type Slit */ _mirror_m2a_setpos(); /* type Mirror */ _mirror_m2a_out_setpos(); /* type Arm */ _slit4_in_setpos(); /* type PSD_monitor */ _slit4_setpos(); /* type Slit */ _arm_crystal0_setpos(); /* type Arm */ _bragg_crystal_setpos(); /* type Bragg_crystal */ _arm_crystal1_setpos(); /* type Arm */ _bragg_crystal_two_setpos(); /* type Bragg_crystal */ _arm_crystal2_setpos(); /* type Arm */ _bragg_crystal_out_setpos(); /* type PSD_monitor */ _slit5_setpos(); /* type Slit */ _slit6_setpos(); /* type Slit */ _mirror_m2b_setpos(); /* type Mirror_curved */ _mirror_m2b_out_setpos(); /* type Arm */ _EnergyMonitor_before_sample_setpos(); /* type Monitor_nD */ _e_repartition_after_m2b_setpos(); /* type Monitor_nD */ _sample_in_setpos(); /* type PSD_monitor */ _absorption_sample_setpos(); /* type Fluorescence */ _fluo_monitor_setpos(); /* type Monitor_nD */ _EnergyMonitor_after_sample_setpos(); /* type Monitor_nD */ _psd_monitor_setpos(); /* type PSD_monitor */ /* call iteratively all components INITIALISE */ class_Progress_bar_init(&_Origin_var); class_Bending_magnet_init(&_Source_var); class_Slit_init(&_slit1_var); class_Slit_init(&_slit2_var); class_Mirror_toroid_pothole_init(&_mirror_m1_var); class_PSD_monitor_init(&_slit3_xy_var); class_Divergence_monitor_init(&_slit3_div_var); class_Slit_init(&_slit3_var); class_Mirror_init(&_mirror_m2a_var); class_PSD_monitor_init(&_slit4_in_var); class_Slit_init(&_slit4_var); class_Bragg_crystal_init(&_bragg_crystal_var); class_Bragg_crystal_init(&_bragg_crystal_two_var); class_PSD_monitor_init(&_bragg_crystal_out_var); class_Slit_init(&_slit5_var); class_Slit_init(&_slit6_var); class_Mirror_curved_init(&_mirror_m2b_var); class_Monitor_nD_init(&_EnergyMonitor_before_sample_var); class_Monitor_nD_init(&_e_repartition_after_m2b_var); class_PSD_monitor_init(&_sample_in_var); class_Fluorescence_init(&_absorption_sample_var); class_Monitor_nD_init(&_fluo_monitor_var); class_Monitor_nD_init(&_EnergyMonitor_after_sample_var); class_PSD_monitor_init(&_psd_monitor_var); if (mcdotrace) display(); DEBUG_INSTR_END(); #ifdef OPENACC #include #pragma acc update device(_Origin_var) #pragma acc update device(_Source_var) #pragma acc update device(_slit1_var) #pragma acc update device(_slit2_var) #pragma acc update device(_mirror_m1_var) #pragma acc update device(_mirror_m1_out_var) #pragma acc update device(_slit3_xy_var) #pragma acc update device(_slit3_div_var) #pragma acc update device(_slit3_var) #pragma acc update device(_mirror_m2a_var) #pragma acc update device(_mirror_m2a_out_var) #pragma acc update device(_slit4_in_var) #pragma acc update device(_slit4_var) #pragma acc update device(_arm_crystal0_var) #pragma acc update device(_bragg_crystal_var) #pragma acc update device(_arm_crystal1_var) #pragma acc update device(_bragg_crystal_two_var) #pragma acc update device(_arm_crystal2_var) #pragma acc update device(_bragg_crystal_out_var) #pragma acc update device(_slit5_var) #pragma acc update device(_slit6_var) #pragma acc update device(_mirror_m2b_var) #pragma acc update device(_mirror_m2b_out_var) #pragma acc update device(_EnergyMonitor_before_sample_var) #pragma acc update device(_e_repartition_after_m2b_var) #pragma acc update device(_sample_in_var) #pragma acc update device(_absorption_sample_var) #pragma acc update device(_fluo_monitor_var) #pragma acc update device(_EnergyMonitor_after_sample_var) #pragma acc update device(_psd_monitor_var) #pragma acc update device(_instrument_var) #endif return(0); } /* init */ /******************************************************************************* * components TRACE *******************************************************************************/ #define x (_particle->x) #define y (_particle->y) #define z (_particle->z) #define kx (_particle->kx) #define ky (_particle->ky) #define kz (_particle->kz) #define phi (_particle->phi) #define t (_particle->t) #define Ex (_particle->Ex) #define Ey (_particle->Ey) #define Ez (_particle->Ez) #define p (_particle->p) #define allow_backprop (_particle->allow_backprop) #define _mctmp_a (_particle->_mctmp_a) #define _mctmp_b (_particle->_mctmp_b) #define _mctmp_c (_particle->_mctmp_c) /* if on GPU, globally nullify sprintf,fprintf,printfs */ /* (Similar defines are available in each comp trace but */ /* those are not enough to handle external libs etc. ) */ #ifdef OPENACC #define fprintf(stderr,...) printf(__VA_ARGS__) #define sprintf(string,...) printf(__VA_ARGS__) #define exit(...) noprintf() #define strcmp(a,b) str_comp(a,b) #define strlen(a) str_len(a) #endif #define SCATTERED (_particle->_scattered) #define RESTORE (_particle->_restore) #define RESTORE_XRAY(_index, ...) _particle->_restore = _index; #define ABSORB0 do { DEBUG_STATE(); DEBUG_ABSORB(); ABSORBED++; return; } while(0) #define ABSORBED (_particle->_absorbed) #define mcget_run_num() _particle->_uid #define ABSORB ABSORB0 #pragma acc routine void class_Progress_bar_trace(_class_Progress_bar *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define profile (_comp->_parameters.profile) #define percent (_comp->_parameters.percent) #define flag_save (_comp->_parameters.flag_save) #define minutes (_comp->_parameters.minutes) #define IntermediateCnts (_comp->_parameters.IntermediateCnts) #define StartTime (_comp->_parameters.StartTime) #define EndTime (_comp->_parameters.EndTime) #define CurrentTime (_comp->_parameters.CurrentTime) #define infostring (_comp->_parameters.infostring) SIG_MESSAGE("[_Origin_trace] component Origin=Progress_bar() TRACE [Progress_bar:0]"); #ifndef OPENACC double ncount; ncount = mcget_run_num (); if (!StartTime) { time (&StartTime); /* compute starting time */ IntermediateCnts = 1e3; } time_t NowTime; time (&NowTime); /* compute initial estimate of computation duration */ if (!EndTime && ncount >= IntermediateCnts) { CurrentTime = NowTime; if (difftime (NowTime, StartTime) > 10 && ncount) { /* wait 10 sec before writing ETA */ EndTime = StartTime + (time_t)(difftime (NowTime, StartTime) * (double)mcget_ncount () / ncount); IntermediateCnts = 0; MPI_MASTER (fprintf (stdout, "\nTrace ETA "); fprintf (stdout, "%s", infostring); if (difftime (EndTime, StartTime) < 60.0) fprintf (stdout, "%g [s] %% ", difftime (EndTime, StartTime)); else if (difftime (EndTime, StartTime) > 3600.0) fprintf (stdout, "%g [h] %% ", difftime (EndTime, StartTime) / 3600.0); else fprintf (stdout, "%g [min] ", difftime (EndTime, StartTime) / 60.0); fprintf (stdout, "\n");); } else IntermediateCnts += 1e3; fflush (stdout); } /* display percentage when percent or minutes have reached step */ if (EndTime && mcget_ncount () && ((minutes && difftime (NowTime, CurrentTime) > minutes * 60) || (percent && !minutes && ncount >= IntermediateCnts))) { MPI_MASTER (fprintf (stdout, "%llu %%\n", (unsigned long long)(ncount * 100.0 / mcget_ncount ())); fflush (stdout);); CurrentTime = NowTime; IntermediateCnts = ncount + percent * mcget_ncount () / 100; /* check that next intermediate ncount check is a multiple of the desired percentage */ IntermediateCnts = floor (IntermediateCnts * 100 / percent / mcget_ncount ()) * percent * mcget_ncount () / 100; /* raise flag to indicate that we did something */ SCATTER; if (flag_save) save (NULL); } #endif #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + kx + ky + kz + x + y + z + phi)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(kx) + fabs(ky) + fabs(kz) + fabs(x) + fabs(y) + fabs(z) + fabs(phi))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(phi) || isinf(phi)) printf("NAN or INF found in phi, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kx) || isinf(kx)) printf("NAN or INF found in kx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(ky) || isinf(ky)) printf("NAN or INF found in ky, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kz) || isinf(kz)) printf("NAN or INF found in kz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef profile #undef percent #undef flag_save #undef minutes #undef IntermediateCnts #undef StartTime #undef EndTime #undef CurrentTime #undef infostring return; } /* class_Progress_bar_trace */ #pragma acc routine void class_Bending_magnet_trace(_class_Bending_magnet *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define E0 (_comp->_parameters.E0) #define dE (_comp->_parameters.dE) #define lambda0 (_comp->_parameters.lambda0) #define dlambda (_comp->_parameters.dlambda) #define phase (_comp->_parameters.phase) #define randomphase (_comp->_parameters.randomphase) #define Ee (_comp->_parameters.Ee) #define Ie (_comp->_parameters.Ie) #define B (_comp->_parameters.B) #define sigey (_comp->_parameters.sigey) #define sigex (_comp->_parameters.sigex) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define dist (_comp->_parameters.dist) #define gauss_t (_comp->_parameters.gauss_t) #define gamma (_comp->_parameters.gamma) #define gamma2 (_comp->_parameters.gamma2) #define igamma (_comp->_parameters.igamma) #define kc (_comp->_parameters.kc) #define s1x (_comp->_parameters.s1x) #define s1y (_comp->_parameters.s1y) #define p0 (_comp->_parameters.p0) SIG_MESSAGE("[_Source_trace] component Source=Bending_magnet() TRACE [Bending_magnet:0]"); double xx, yy, x1, y1, z1; double k, e, l; double F1 = 1.0; double dx, dy, dz; // initial source area xx = randnorm (); yy = randnorm (); x = xx * sigex; y = yy * sigey; z = 0; // Gaussian distribution at origin p = p0; /*initial weight is p0*/ if (E0) { if (!dE) { e = E0; } else { e = randpm1 () * dE + E0; } k = E2K * e; } else if (lambda0) { if (!dlambda) { l = lambda0; } else { l = randpm1 () * dlambda + lambda0; } k = (2 * M_PI / l); } // targeted area calculation if (focus_xw) { if (!gauss_t) { /*sample uniformly but adjust weight*/ x1 = randpm1 () * focus_xw / 2.0; p *= exp (-(x1 * x1) / (2.0 * s1x * s1x)); } else { do { x1 = randnorm () * s1x; } while (focus_xw != 0 && fabs (x1) > focus_xw / 2.0); /*adjust for restricted sampling window*/ p *= erf (focus_xw * 0.5 * M_SQRT1_2 / s1x); } } else { x1 = randnorm () * igamma; } if (focus_yh) { if (!gauss_t) { /*sample uniformly but adjust weight*/ y1 = randpm1 () * focus_yh / 2.0; p *= exp (-(y1 * y1) / (2.0 * s1y * s1y)); } else { do { y1 = randnorm () * s1y; } while (fabs (y1) > focus_yh / 2.0); /*adjust for restricted sampling window*/ p *= erf (focus_yh * 0.5 * M_SQRT1_2 / s1y); } } else { y1 = randnorm () * igamma; } z1 = dist; dx = x1 - x; dy = y1 - y; dz = sqrt (dx * dx + dy * dy + dist * dist); kx = (k * dx) / dz; ky = (k * dy) / dz; kz = (k * dist) / dz; /*spectral strength of radiation is given by Patterson*/ double k_kc = k / kc; double K2_3 = besselKnu (0.666666666666666666666666667, k_kc * 0.5); p *= 1.33e13 * Ee * Ee * Ie * k_kc * k_kc * K2_3 * K2_3; // p*=ALPHA/(M_PI*M_PI)*gamma2*Ie/CELE* 1e-4 * 0.75 *k_kc*k_kc*K2_3*K2_3; /*randomly pick phase*/ if (randomphase) { phi = rand01 () * 2 * M_PI; } else { phi = phase; } /*set polarization vector*/ Ex = 0; Ey = 0; Ez = 0; #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + kx + ky + kz + x + y + z + phi)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(kx) + fabs(ky) + fabs(kz) + fabs(x) + fabs(y) + fabs(z) + fabs(phi))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(phi) || isinf(phi)) printf("NAN or INF found in phi, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kx) || isinf(kx)) printf("NAN or INF found in kx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(ky) || isinf(ky)) printf("NAN or INF found in ky, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kz) || isinf(kz)) printf("NAN or INF found in kz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef E0 #undef dE #undef lambda0 #undef dlambda #undef phase #undef randomphase #undef Ee #undef Ie #undef B #undef sigey #undef sigex #undef focus_xw #undef focus_yh #undef dist #undef gauss_t #undef gamma #undef gamma2 #undef igamma #undef kc #undef s1x #undef s1y #undef p0 return; } /* class_Bending_magnet_trace */ #pragma acc routine void class_Slit_trace(_class_Slit *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define radius (_comp->_parameters.radius) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define dist (_comp->_parameters.dist) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define focus_x0 (_comp->_parameters.focus_x0) #define focus_y0 (_comp->_parameters.focus_y0) SIG_MESSAGE("[_slit1_trace] component slit1=Slit() TRACE [Slit:0]"); PROP_Z0; if (((radius == 0) && (x < xmin || x > xmax || y < ymin || y > ymax)) || ((radius != 0) && (x * x + y * y > radius * radius))) { ABSORB; } else { SCATTER; } if (focus_xw || focus_yh) { double posx, posy, posz, pdir, k; coords_get (POS_A_CURRENT_COMP, &posx, &posy, &posz); /*we have a target behind the slit - so we now consider the ray a Huygens wavelet.*/ double xf, yf, zf; randvec_target_rect_real (&xf, &yf, &zf, &pdir, focus_x0 - posx, focus_y0 - posy, dist, focus_xw, focus_yh, ROT_A_CURRENT_COMP, x, y, z, 0); // p*=pdir; k = sqrt (scalar_prod (kx, ky, kz, kx, ky, kz)); kx = (xf - x); ky = (yf - y); kz = (zf - z); NORM (kx, ky, kz); kx *= k; ky *= k; kz *= k; } #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + kx + ky + kz + x + y + z + phi)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(kx) + fabs(ky) + fabs(kz) + fabs(x) + fabs(y) + fabs(z) + fabs(phi))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(phi) || isinf(phi)) printf("NAN or INF found in phi, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kx) || isinf(kx)) printf("NAN or INF found in kx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(ky) || isinf(ky)) printf("NAN or INF found in ky, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kz) || isinf(kz)) printf("NAN or INF found in kz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef xmin #undef xmax #undef ymin #undef ymax #undef radius #undef xwidth #undef yheight #undef dist #undef focus_xw #undef focus_yh #undef focus_x0 #undef focus_y0 return; } /* class_Slit_trace */ #pragma acc routine void class_Mirror_toroid_pothole_trace(_class_Mirror_toroid_pothole *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define zdepth (_comp->_parameters.zdepth) #define xwidth (_comp->_parameters.xwidth) #define radius (_comp->_parameters.radius) #define radius_o (_comp->_parameters.radius_o) #define R0 (_comp->_parameters.R0) #define coating (_comp->_parameters.coating) #define prms (_comp->_parameters.prms) #define reflec_table (_comp->_parameters.reflec_table) #define re (_comp->_parameters.re) SIG_MESSAGE("[_mirror_m1_trace] component mirror_m1=Mirror_toroid_pothole() TRACE [Mirror_toroid_pothole:0]"); int status; double l0, l1, l2, l3, tx, ty, tz; do { /*TODO check the permutation of coordinates and the actual position of the cylinder.*/ status = cylinder_intersect (&l0, &l1, x, z, y - radius, kx, kz, ky, radius, zdepth); if (!status) break; /* no interaction with the cylinder*/ // if(status & (02|04)) break; /*we exit the top/bottom of the cylinder*/ if (status & (24)) break; // if(status & (8|16)) break; /*we exit the top/bottom of the cylinder*/ /*if the first intersection is behind the particle - this means the ray is on the wrong side of the mirror*/ if (l1 < 0) break; do { /*this to do a test propagation*/ double op[12]; op[0] = x; op[1] = y; op[2] = z; op[3] = kx; op[4] = ky; op[5] = kz; op[6] = phi; op[7] = t; op[8] = Ex; op[9] = Ey; op[10] = Ez; op[12] = p; mcPROP_DL (l1); (tx) = x; (ty) = y; (tz) = z; x = op[0]; y = op[1]; z = op[2]; kx = op[3]; ky = op[4]; kz = op[5]; phi = op[6]; t = op[7]; Ex = op[8]; Ey = op[9]; Ez = op[10]; p = op[12]; } while (0); /*check mirror limits of intersectio point.*/ if (tz < -zdepth / 2.0 || tz > zdepth / 2.0) break; /*check if the width is OK*/ double xmax = acos (xwidth / (2.0 * radius)) * radius; if (tx < -xmax || tx > xmax) break; status = ellipsoid_intersect (&l2, &l3, x, y - radius, z, kx, ky, kz, radius, radius, radius_o + radius, NULL); if (!status) break; if (l3 < 0) break; /*This shouldn't be possible*/ /*the mirror is indeed hit*/ PROP_DL (l3); SCATTER; double nx, ny, nz; nx = 2 * x / (radius * radius); ny = 2 * (y - radius) / (radius * radius); /*ellipsoid is displaced to put Origin on the surface*/ nz = 2 * z / ((radius + radius_o) * (radius + radius_o)); NORM (nx, ny, nz); /*By definition the normal vector points out from the ellipsoid*/ double s = scalar_prod (kx, ky, kz, nx, ny, nz); double k = sqrt (scalar_prod (kx, ky, kz, kx, ky, kz)); kx = kx - 2 * s * nx; ky = ky - 2 * s * ny; kz = kz - 2 * s * nz; /*find energy, and glancing angle*/ if (prms.use_reflec_table) { /*the get ref. by call to Table_value2d*/ double R; double theta = RAD2DEG * (acos (s / k) - M_PI_2); double e = K2E * k; R = Table_Value2d (reflec_table, fabs ((e - prms.e_min) / prms.e_step), fabs (((theta - prms.theta_min) / prms.theta_step))); p *= R; /*update phase - as an approximation turn by 180 deg.*/ phi += M_PI; } else { p *= R0; } } while (0); #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + kx + ky + kz + x + y + z + phi)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(kx) + fabs(ky) + fabs(kz) + fabs(x) + fabs(y) + fabs(z) + fabs(phi))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(phi) || isinf(phi)) printf("NAN or INF found in phi, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kx) || isinf(kx)) printf("NAN or INF found in kx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(ky) || isinf(ky)) printf("NAN or INF found in ky, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kz) || isinf(kz)) printf("NAN or INF found in kz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif if (_comp->_index == 5) { // EXTEND 'mirror_m1' if (!SCATTERED) ABSORB; } #undef zdepth #undef xwidth #undef radius #undef radius_o #undef R0 #undef coating #undef prms #undef reflec_table #undef re return; } /* class_Mirror_toroid_pothole_trace */ #pragma acc routine void class_PSD_monitor_trace(_class_PSD_monitor *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define filename (_comp->_parameters.filename) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define radius (_comp->_parameters.radius) #define restore_xray (_comp->_parameters.restore_xray) #define nowritefile (_comp->_parameters.nowritefile) #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define nr (_comp->_parameters.nr) #define PSD_N (_comp->_parameters.PSD_N) #define PSD_p (_comp->_parameters.PSD_p) #define PSD_p2 (_comp->_parameters.PSD_p2) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) SIG_MESSAGE("[_slit3_xy_trace] component slit3_xy=PSD_monitor() TRACE [PSD_monitor:0]"); int i, j, k; double e, p2; PROP_Z0; if (!radius) { if (x > xmin && x < xmax && y > ymin && y < ymax) { i = floor ((x - xmin) * nx / (xmax - xmin)); j = floor ((y - ymin) * ny / (ymax - ymin)); p2 = p * p; #pragma acc atomic PSD_N[i][j] += 1; #pragma acc atomic PSD_p[i][j] += p; #pragma acc atomic PSD_p2[i][j] += p2; SCATTER; } } else { double r = sqrt (x * x + y * y); if (r < radius) { i = floor (r * nr / radius); p2 = p * p; #pragma acc atomic PSD_N[0][i] += 1; #pragma acc atomic PSD_p[0][i] += p; #pragma acc atomic PSD_p2[0][i] += p2; SCATTER; } } if (restore_xray) { RESTORE_XRAY (INDEX_CURRENT_COMP, x, y, z, kx, ky, kz, phi, t, Ex, Ey, Ez, p); } #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + kx + ky + kz + x + y + z + phi)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(kx) + fabs(ky) + fabs(kz) + fabs(x) + fabs(y) + fabs(z) + fabs(phi))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(phi) || isinf(phi)) printf("NAN or INF found in phi, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kx) || isinf(kx)) printf("NAN or INF found in kx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(ky) || isinf(ky)) printf("NAN or INF found in ky, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kz) || isinf(kz)) printf("NAN or INF found in kz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef filename #undef xwidth #undef yheight #undef radius #undef restore_xray #undef nowritefile #undef nx #undef ny #undef nr #undef PSD_N #undef PSD_p #undef PSD_p2 #undef xmin #undef xmax #undef ymin #undef ymax return; } /* class_PSD_monitor_trace */ #pragma acc routine void class_Divergence_monitor_trace(_class_Divergence_monitor *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define nh (_comp->_parameters.nh) #define nv (_comp->_parameters.nv) #define rad (_comp->_parameters.rad) #define filename (_comp->_parameters.filename) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define maxdiv_h (_comp->_parameters.maxdiv_h) #define maxdiv_v (_comp->_parameters.maxdiv_v) #define restore_xray (_comp->_parameters.restore_xray) #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define nz (_comp->_parameters.nz) #define nowritefile (_comp->_parameters.nowritefile) #define Div_N (_comp->_parameters.Div_N) #define Div_p (_comp->_parameters.Div_p) #define Div_p2 (_comp->_parameters.Div_p2) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) SIG_MESSAGE("[_slit3_div_trace] component slit3_div=Divergence_monitor() TRACE [Divergence_monitor:0]"); int i, j; double h_div, v_div; double k, kn; PROP_Z0; if (x > xmin && x < xmax && y > ymin && y < ymax) { /* Find length of projection onto the [nx ny nz] axis */ kn = scalar_prod (kx, ky, kz, nx, ny, nz); if (rad) { h_div = atan2 (kx, kn); v_div = atan2 (ky, kn); } else { h_div = RAD2DEG * atan2 (kx, kn); v_div = RAD2DEG * atan2 (ky, kn); } if (h_div < maxdiv_h && h_div > -maxdiv_h && v_div < maxdiv_v && v_div > -maxdiv_v) { i = floor ((h_div + maxdiv_h) * nh / (2.0 * maxdiv_h)); j = floor ((v_div + maxdiv_v) * nv / (2.0 * maxdiv_v)); double p2 = p * p; #pragma acc atomic Div_N[i][j] = Div_N[i][j] + 1; #pragma acc atomic Div_p[i][j] = Div_p[i][j] + p; #pragma acc atomic Div_p2[i][j] = Div_p2[i][j] + p2; SCATTER; } } if (restore_xray) { RESTORE_XRAY (INDEX_CURRENT_COMP, x, y, z, kx, ky, kz, phi, t, Ex, Ey, Ez, p); } #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + kx + ky + kz + x + y + z + phi)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(kx) + fabs(ky) + fabs(kz) + fabs(x) + fabs(y) + fabs(z) + fabs(phi))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(phi) || isinf(phi)) printf("NAN or INF found in phi, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kx) || isinf(kx)) printf("NAN or INF found in kx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(ky) || isinf(ky)) printf("NAN or INF found in ky, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kz) || isinf(kz)) printf("NAN or INF found in kz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef nh #undef nv #undef rad #undef filename #undef xwidth #undef yheight #undef maxdiv_h #undef maxdiv_v #undef restore_xray #undef nx #undef ny #undef nz #undef nowritefile #undef Div_N #undef Div_p #undef Div_p2 #undef xmin #undef xmax #undef ymin #undef ymax return; } /* class_Divergence_monitor_trace */ #pragma acc routine void class_Mirror_trace(_class_Mirror *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define zdepth (_comp->_parameters.zdepth) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define coating (_comp->_parameters.coating) #define R0 (_comp->_parameters.R0) #define geometry (_comp->_parameters.geometry) #define re (_comp->_parameters.re) #define offdata (_comp->_parameters.offdata) #define shape (_comp->_parameters.shape) SIG_MESSAGE("[_mirror_m2a_trace] component mirror_m2a=Mirror() TRACE [Mirror:0]"); int intersect = 1; double nx, ny, nz; if (shape == ANY) { // off/ply double l0, l1; Coords n0, n1; intersect = off_x_intersect (&l0, &l1, &n0, &n1, x, y, z, kx, ky, kz, offdata); if (intersect) { if (l0 > 0) { PROP_DL (l0); coords_get (n0, &nx, &ny, &nz); } else if (l1 > 0) { PROP_DL (l1); coords_get (n1, &nx, &ny, &nz); } } } else if (yheight) { // YZ plane PROP_X0; if (y < -yheight / 2.0 || y > yheight / 2.0 || z < -zdepth / 2.0 || z > zdepth / 2.0) { intersect = 0; } else { nx = 1; ny = nz = 0; } } else { // XZ plane PROP_Y0; if (x < -xwidth / 2.0 || x > xwidth / 2.0 || z < -zdepth / 2.0 || z > zdepth / 2.0) { intersect = 0; } else { nx = 0; ny = 1; nz = 0; } } if (intersect) { double s, k, q, R; s = scalar_prod (kx, ky, kz, nx, ny, nz); k = sqrt (scalar_prod (kx, ky, kz, kx, ky, kz)); kx = kx - 2 * s * nx; ky = ky - 2 * s * ny; kz = kz - 2 * s * nz; SCATTER; q = 2.0 * s; R = reflecq (re, q, 0.0, k, fabs (90 - acos (s / k) * RAD2DEG)); p *= R; /*update phase - as an approximation turn by 180 deg.*/; phi += M_PI; } else { /*missed mirror - restore xray*/ RESTORE_XRAY (INDEX_CURRENT_COMP, x, y, z, kx, ky, kz, phi, t, Ex, Ey, Ez, p); } #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + kx + ky + kz + x + y + z + phi)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(kx) + fabs(ky) + fabs(kz) + fabs(x) + fabs(y) + fabs(z) + fabs(phi))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(phi) || isinf(phi)) printf("NAN or INF found in phi, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kx) || isinf(kx)) printf("NAN or INF found in kx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(ky) || isinf(ky)) printf("NAN or INF found in ky, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kz) || isinf(kz)) printf("NAN or INF found in kz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif if (_comp->_index == 10) { // EXTEND 'mirror_m2a' if (!SCATTERED) ABSORB; } #undef zdepth #undef xwidth #undef yheight #undef coating #undef R0 #undef geometry #undef re #undef offdata #undef shape return; } /* class_Mirror_trace */ #pragma acc routine void class_Bragg_crystal_trace(_class_Bragg_crystal *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define length (_comp->_parameters.length) #define width (_comp->_parameters.width) #define V (_comp->_parameters.V) #define form_factors (_comp->_parameters.form_factors) #define material (_comp->_parameters.material) #define alpha (_comp->_parameters.alpha) #define R0 (_comp->_parameters.R0) #define debye_waller_B (_comp->_parameters.debye_waller_B) #define crystal_type (_comp->_parameters.crystal_type) #define h (_comp->_parameters.h) #define k (_comp->_parameters.k) #define l (_comp->_parameters.l) #define structure_factor_scale_r (_comp->_parameters.structure_factor_scale_r) #define structure_factor_scale_i (_comp->_parameters.structure_factor_scale_i) #define Z (_comp->_parameters.Z) #define rho (_comp->_parameters.rho) #define At (_comp->_parameters.At) #define f_rel (_comp->_parameters.f_rel) #define f_nt (_comp->_parameters.f_nt) #define m_t (_comp->_parameters.m_t) #define f0_t (_comp->_parameters.f0_t) SIG_MESSAGE("[_bragg_crystal_trace] component bragg_crystal=Bragg_crystal() TRACE [Bragg_crystal:0]"); double E; // (keV) x-ray energy double K; // length of k-vector double kxu, kyu, kzu; // unit vector in the direction of k-vector. double tin; // 'time' of intersection of ray with y=0 plane (which include the crystal surface) double x_int, y_int, z_int; // intersection with the y=0 plane double dist; // distance from position at t=0 to the y=0 plane double f00, f0h, fp, fpp; // atomic form factors for Q=0 is (f00 + fp + i*fpp) and for Q= ha*+kb*+lc* it is (f0h + fp + i*fpp). double Thetain; // (rad) angle between the crystal surface and the incident ray double Theta0; // (rad) angle between the Bragg planes and the incident ray double Thetah; // (rad) angle between the Bragg planes and the reflected ray double Thetaout; // (rad) angle between the crystal surface and the reflected ray double DeltaTheta0; // (rad) the center of the reflectivity curve is at asin(n*lambda/(2*d)) + DeltaTheta0 double Rpi, Rsig, R; // Reflectivity value calculated by DarwinReflectivity() function for each incoming photon double x0, y0, z0, kx0, ky0, kz0, phi0, t0, Ex0, Ey0, Ez0, p0; x0 = x; y0 = y; z0 = z; kx0 = kx; ky0 = ky; kz0 = kz; phi0 = phi; t0 = t; Ex0 = Ex; Ey0 = Ey; Ez0 = Ez; p0 = p; /* get the photon's kvector and energy */ K = sqrt (kx * kx + ky * ky + kz * kz); E = K2E * K; /* use built-in constants for consistency */ /* make unit vector in the direction of k :*/ kxu = kx; kyu = ky; kzu = kz; NORM (kxu, kyu, kzu); /* printf("incoming kx,ky,kz, Ex, Ey, Ez, k.E: %f %f %f %g %g %g %g\n", kx,ky,kz,Ex,Ey,Ez, kxu*Ex+kyu*Ey+kzu*Ez); */ /*intersection calculation*/ tin = -y / kyu; if (tin >= 0) { /* check whether our intersection lies within the boundaries of the crystal*/ x_int = x + kxu * tin; y_int = y + kyu * tin; z_int = z + kzu * tin; if (fabs (x_int) <= width / 2 && fabs (z_int) <= length / 2) { dist = sqrt (SQR (x - x_int) + SQR (y - y_int) + SQR (z - z_int)); PROP_DL (dist); /* now the photon is on the crystal surface, ready to be reflected... */ SCATTER; Thetain = fabs (asin (kyu)); /* k(x,y,z)u is a unit vector, the y component is sin(theta) */ double d = cbrt (V) / (sqrt (h * h + k * k + l * l)); /*this is valid only for cubic structures*/ f00 = Z; f0h = Table_Value (f0_t, 1 / (2 * d), Z); fp = Table_Value (m_t, E, 1) - Z; fpp = Table_Value (m_t, E, 2); double alpha1 = alpha; /* check for 3rd & 1st quadrant hits, backward hit from above or forward hit from below and reverse sense of alpha */ if ((ky < 0 && kz < 0) || (ky > 0 && kz > 0)) alpha1 = -alpha1; Mx_DarwinReflectivity (&Rpi, &Thetah, &Theta0, &DeltaTheta0, f00, f0h, fp, fpp, V, alpha1, h, k, l, debye_waller_B, E, Thetain, 1, crystal_type, structure_factor_scale_r, structure_factor_scale_i); Mx_DarwinReflectivity (&Rsig, &Thetah, &Theta0, &DeltaTheta0, f00, f0h, fp, fpp, V, alpha1, h, k, l, debye_waller_B, E, Thetain, 2, crystal_type, structure_factor_scale_r, structure_factor_scale_i); double pi_x, pi_y, pi_z, sig_x, sig_y, sig_z; double kx0 = kx, ky0 = ky, kz0 = kz, Ex0 = Ex, Ey0 = Ey, Ez0 = Ez; /* sig_x,y,z is k(in) x surface_normal i.e. the direction of sigma polarization */ vec_prod_func (&sig_x, &sig_y, &sig_z, kx0, ky0, kz0, 0, -1, 0); NORM (sig_x, sig_y, sig_z); /* pi is a vector perpendicular to k_in and sig i.e. the direction of pi polarization incoming */ vec_prod_func (&pi_x, &pi_y, &pi_z, kx0, ky0, kz0, sig_x, sig_y, sig_z); NORM (pi_x, pi_y, pi_z); #ifdef MCDEBUG printf ("%s: Thetain: %.3f sigma: (%g, %g, %g) pi: (%g, %g, %g) \n", NAME_CURRENT_COMP, Thetain * 180 / PI, sig_x, sig_y, sig_z, pi_x, pi_y, pi_z); #endif double sth = sin (Theta0 + Thetah), cth = cos (Theta0 + Thetah); if (sig_x * pi_y * pi_z > 0) { /* backwards hit, rotate the other way */ sth = -sth; } double sx2 = sig_x * sig_x, sy2 = sig_y * sig_y, sz2 = sig_z * sig_z, r2 = sig_x * sig_x + sig_y * sig_y; /* initialize a rotation matrix by the appropriate angle around the sigma axis, this from Mathematica RotationMatrix[] */ double m[3][3] = { sx2 + (cth * (sy2 + sx2 * sz2)) / r2, sig_x * sig_y - sig_z * sth + (cth * sig_x * sig_y * (-1 + sz2)) / r2, sig_x * sig_z - cth * sig_x * sig_z + sig_y * sth, sig_x * sig_y + sig_z * sth + (cth * sig_x * sig_y * (-1 + sz2)) / r2, sy2 + (cth * (sx2 + sy2 * sz2)) / r2, sig_y * sig_z - cth * sig_y * sig_z - sig_x * sth, sig_x * sig_z - cth * sig_x * sig_z - sig_y * sth, sig_y * sig_z - cth * sig_y * sig_z + sig_x * sth, cth * r2 + sz2 }; #ifdef MCDEBUG printf ("%s matrix=\n%12.3f %12.3f %12.3f\n%12.3f %12.3f %12.3f\n%12.3f %12.3f %12.3f\n", NAME_CURRENT_COMP, m[0][0], m[0][1], m[0][2], m[1][0], m[1][1], m[1][2], m[2][0], m[2][1], m[2][2]); #endif /* execute the rotation about the sigma vector */ kx = m[0][0] * kx0 + m[0][1] * ky0 + m[0][2] * kz0; ky = m[1][0] * kx0 + m[1][1] * ky0 + m[1][2] * kz0; kz = m[2][0] * kx0 + m[2][1] * ky0 + m[2][2] * kz0; /* resolve incoming polarization into sig and pi bits, and scale by sqrt(reflectivity) which is amplitude scale */ double Esig = (Ex * sig_x + Ey * sig_y + Ez * sig_z), Epi = (Ex * pi_x + Ey * pi_y + Ez * pi_z); if (Esig == 0 && Epi == 0) { /* someone didn't set the polarization direction; set it now to a random value and it will propagate */ double psi = rand01 () * PI / 2; Esig = cos (psi); Epi = sin (psi); } Esig = Esig * sqrt (Rsig); Epi = Epi * sqrt (Rpi); R = Esig * Esig + Epi * Epi; /* projected reflectivity, squared back to intensity */ /* pi is now a vector perpendicular to k_out and sig i.e. the direction of pi polarization outgoing */ vec_prod_func (&pi_x, &pi_y, &pi_z, kx, ky, kz, sig_x, sig_y, sig_z); NORM (pi_x, pi_y, pi_z); /* a linear combination of these is still perpendicular to k, but has the correct polarization weighting */ Ex = Epi * pi_x + Esig * sig_x; Ey = Epi * pi_y + Esig * sig_y; Ez = Epi * pi_z + Esig * sig_z; NORM (Ex, Ey, Ez); #ifdef MCDEBUG printf ("%s: Rsig, Rpi, R, k0, k1, e0, e1: %g %g %g (%g, %g, %g) (%g, %g, %g) (%g, %g, %g) (%g, %g, %g)\n", NAME_CURRENT_COMP, Rsig, Rpi, R, kx0, ky0, kz0, kx, ky, kz, Ex0, Ey0, Ez0, Ex, Ey, Ez); #endif /* apply Darwin reflectivity if not is supplied from outside*/ if (!R0) { p *= R; } else { p *= R0; } /*catch dead rays*/ if (p == 0) ABSORB; } else { // RESTORE_XRAY(INDEX_CURRENT_COMP, x, y, z, kx, ky, kz, phi, t, Ex, Ey, Ez, p);// x = x0; y = y0; z = z0; kx = kx0; ky = ky0; kz = kz0; phi = phi0; t = t0; Ex = Ex0; Ey = Ey0; Ez = Ez0; p = p0; } } #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + kx + ky + kz + x + y + z + phi)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(kx) + fabs(ky) + fabs(kz) + fabs(x) + fabs(y) + fabs(z) + fabs(phi))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(phi) || isinf(phi)) printf("NAN or INF found in phi, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kx) || isinf(kx)) printf("NAN or INF found in kx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(ky) || isinf(ky)) printf("NAN or INF found in ky, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kz) || isinf(kz)) printf("NAN or INF found in kz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif if (_comp->_index == 15) { // EXTEND 'bragg_crystal' if (!SCATTERED) ABSORB; } if (_comp->_index == 17) { // EXTEND 'bragg_crystal_two' if (!SCATTERED) ABSORB; } #undef length #undef width #undef V #undef form_factors #undef material #undef alpha #undef R0 #undef debye_waller_B #undef crystal_type #undef h #undef k #undef l #undef structure_factor_scale_r #undef structure_factor_scale_i #undef Z #undef rho #undef At #undef f_rel #undef f_nt #undef m_t #undef f0_t return; } /* class_Bragg_crystal_trace */ #pragma acc routine void class_Mirror_curved_trace(_class_Mirror_curved *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define radius (_comp->_parameters.radius) #define R0 (_comp->_parameters.R0) #define coating (_comp->_parameters.coating) #define zdepth (_comp->_parameters.zdepth) #define yheight (_comp->_parameters.yheight) #define length (_comp->_parameters.length) #define width (_comp->_parameters.width) #define Z (_comp->_parameters.Z) #define At (_comp->_parameters.At) #define rho (_comp->_parameters.rho) #define T (_comp->_parameters.T) #define re (_comp->_parameters.re) SIG_MESSAGE("[_mirror_m2b_trace] component mirror_m2b=Mirror_curved() TRACE [Mirror_curved:0]"); double l0, l1, dl, alpha, n, nx, nz, s, k, knx, knz; /*do we hit the mirror within range?*/ // PROP_Z0; k = sqrt (scalar_prod (kx, 0, kz, kx, 0, kz)); knx = kx / k; knz = kz / k; if (solve_2nd_order (&l0, &l1, knx* knx + knz * knz, 2 * (x * knx + z * knz - radius * knx), x* x - 2 * x * radius + z * z)) { if (l0 < 0 && l1 > 0) { dl = l1; } else if (l1 < 0 && l0 > 0) { dl = l0; } else if (l0 > 0 && l1 > 0) { if (fabs (z + knz * l0) < zdepth / 2.0 && fabs (x + knx * l0) < fabs (radius)) { /*this means that the first positive match is on the mirror z-wise - this should be picked. This would work even if mirror is hit from behind*/ dl = l0; } else { dl = l1; } } else { /*particle misses the mirror completely (l0<0 and l1<0)*/ RESTORE_XRAY (INDEX_CURRENT_COMP, x, y, z, kx, ky, kz, phi, t, Ex, Ey, Ez, p); } /*correction for only solving in xz-plane*/ dl *= sqrt (scalar_prod (kx, ky, kz, kx, ky, kz) / scalar_prod (kx, 0, kz, kx, 0, kz)); PROP_DL (dl); alpha = asin (z / radius); if ((zdepth < radius * alpha) || (fabs (y) > yheight / 2.0)) { RESTORE_XRAY (INDEX_CURRENT_COMP, x, y, z, kx, ky, kz, phi, t, Ex, Ey, Ez, p); } else { SCATTER; /*reflection*/ nx = radius - x; nz = -z; n = sqrt (nx * nx + nz * nz); nx /= n; nz /= n; s = scalar_prod (kx, 0, kz, nx, 0, nz); kx = kx - 2 * s * nx; kz = kz - 2 * s * nz; double Q; /*length of wavevector transfer may be compute from s and n_ above*/ Q = fabs (2 * s * sqrt (nx * nx + nz * nz)); double complex R = refleccq (re, Q, 0, k, fabs (90 - acos (s / k) * RAD2DEG)); p *= sqrt (creal (R * conj (R))); phi += atan2 (cimag (R), creal (R)); } } else if (fabs (kx) < DBL_EPSILON && fabs (kz) < DBL_EPSILON && ky != 0) { /*This to catch the extreme case where k//y.*/ if (y == 0) { /*We hit the "side" of the mirror.*/ ABSORB; } } #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + kx + ky + kz + x + y + z + phi)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(kx) + fabs(ky) + fabs(kz) + fabs(x) + fabs(y) + fabs(z) + fabs(phi))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(phi) || isinf(phi)) printf("NAN or INF found in phi, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kx) || isinf(kx)) printf("NAN or INF found in kx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(ky) || isinf(ky)) printf("NAN or INF found in ky, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kz) || isinf(kz)) printf("NAN or INF found in kz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif if (_comp->_index == 22) { // EXTEND 'mirror_m2b' if (!SCATTERED) ABSORB; } #undef radius #undef R0 #undef coating #undef zdepth #undef yheight #undef length #undef width #undef Z #undef At #undef rho #undef T #undef re return; } /* class_Mirror_curved_trace */ #pragma acc routine void class_Monitor_nD_trace(_class_Monitor_nD *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define user1 (_comp->_parameters.user1) #define user2 (_comp->_parameters.user2) #define user3 (_comp->_parameters.user3) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define bins (_comp->_parameters.bins) #define min (_comp->_parameters.min) #define max (_comp->_parameters.max) #define restore_xray (_comp->_parameters.restore_xray) #define radius (_comp->_parameters.radius) #define options (_comp->_parameters.options) #define filename (_comp->_parameters.filename) #define geometry (_comp->_parameters.geometry) #define nowritefile (_comp->_parameters.nowritefile) #define username1 (_comp->_parameters.username1) #define username2 (_comp->_parameters.username2) #define username3 (_comp->_parameters.username3) #define DEFS (_comp->_parameters.DEFS) #define Vars (_comp->_parameters.Vars) #define detector (_comp->_parameters.detector) #define offdata (_comp->_parameters.offdata) SIG_MESSAGE("[_EnergyMonitor_before_sample_trace] component EnergyMonitor_before_sample=Monitor_nD() TRACE [Monitor_nD:0]"); // double XY=0; double l0 = 0; double l1 = 0; int pp; int intersect = 0; char Flag_Restore = 0; #ifdef OPENACC #ifdef USE_OFF off_struct thread_offdata = offdata; #endif #else #define thread_offdata offdata #endif /* this is done automatically STORE_XRAY(INDEX_CURRENT_COMP, x, y, z, vx, vy, vz, t, sx, sy, sz, p); */ #ifdef USE_OFF if (geometry && strlen (geometry) && strcmp (geometry, "0") && strcmp (geometry, "NULL")) { /* determine intersections with object */ intersect = off_x_intersect (&l0, &l1, NULL, NULL, x, y, z, kx, ky, kz, offdata); } else #endif if ((abs (Vars.Flag_Shape) == DEFS.SHAPE_SQUARE) || (abs (Vars.Flag_Shape) == DEFS.SHAPE_DISK)) /* square xy or disk xy */ { // propagate to xy plane and find intersection // make sure the event is recoverable afterwards l0 = z; ALLOW_BACKPROP; PROP_Z0; if ((z >= l0) && (z * copysign (z, 1.0) <= DBL_EPSILON)) // forward propagation to xy plane was successful { if (abs (Vars.Flag_Shape) == DEFS.SHAPE_SQUARE) { // square xy intersect = (x >= Vars.mxmin && x <= Vars.mxmax && y >= Vars.mymin && y <= Vars.mymax); } else { // disk xy intersect = (SQR (x) + SQR (y)) <= SQR (Vars.Sphere_Radius); } } else { intersect = 0; } } else if (abs (Vars.Flag_Shape) == DEFS.SHAPE_SPHERE) /* sphere */ { intersect = sphere_intersect (&l0, &l1, x, y, z, kx, ky, kz, Vars.Sphere_Radius); /* intersect = (intersect && t0 > 0); */ } else if ((abs (Vars.Flag_Shape) == DEFS.SHAPE_CYLIND) || (abs (Vars.Flag_Shape) == DEFS.SHAPE_BANANA)) /* cylinder */ { intersect = cylinder_intersect (&l0, &l1, x, y, z, kx, ky, kz, Vars.Sphere_Radius, Vars.Cylinder_Height); } else if (abs (Vars.Flag_Shape) == DEFS.SHAPE_BOX) /* box */ { intersect = box_intersect (&l0, &l1, x, y, z, kx, ky, kz, fabs (Vars.mxmax - Vars.mxmin), fabs (Vars.mymax - Vars.mymin), fabs (Vars.mzmax - Vars.mzmin)); } else if (abs (Vars.Flag_Shape) == DEFS.SHAPE_PREVIOUS) /* previous comp */ { intersect = 1; } if (intersect) { if ((abs (Vars.Flag_Shape) == DEFS.SHAPE_SPHERE) || (abs (Vars.Flag_Shape) == DEFS.SHAPE_CYLIND) || (abs (Vars.Flag_Shape) == DEFS.SHAPE_BOX) || (abs (Vars.Flag_Shape) == DEFS.SHAPE_BANANA) || (geometry && strlen (geometry) && strcmp (geometry, "0") && strcmp (geometry, "NULL"))) { /* check if we have to remove the top/bottom with BANANA shape */ if ((abs (Vars.Flag_Shape) == DEFS.SHAPE_BANANA) && (intersect != 1)) { double y0, y1; /* propagate to intersection point as temporary variable to check top/bottom */ y0 = y + l0; y1 = y + l1; if (fabs (y0) >= Vars.Cylinder_Height / 2 * 0.99) l0 = l1; if (fabs (y1) >= Vars.Cylinder_Height / 2 * 0.99) l1 = l0; } if (l0 < 0 && l1 > 0) l0 = 0; /* photon was already inside ! */ if (l1 < 0 && l0 > 0) /* photon exit before entering !! */ l1 = 0; /* t0 is now time of incoming intersection with the detection area */ if ((Vars.Flag_Shape < 0) && (l1 > 0)) PROP_DL (l1); /* l1 outgoing beam */ else PROP_DL (l0); /* l0 incoming beam */ /* Final test if we are on lid / bottom of banana/sphere */ if (abs (Vars.Flag_Shape) == DEFS.SHAPE_BANANA || abs (Vars.Flag_Shape) == DEFS.SHAPE_SPHERE) { if (Vars.Cylinder_Height && fabs (y) >= Vars.Cylinder_Height / 2 - FLT_EPSILON) { intersect = 0; Flag_Restore = 1; } } } } if (intersect) { /* Now get the data to monitor: current or keep from PreMonitor */ /* if (Vars.Flag_UsePreMonitor != 1)*/ /* {*/ /* Vars.cp = p;*/ /* Vars.cx = x;*/ /* Vars.ckx = kx;*/ /* Vars.cEx = Ex;*/ /* Vars.cy = y;*/ /* Vars.cky = ky;*/ /* Vars.cEy = Ey;*/ /* Vars.cz = z;*/ /* Vars.ckz = kz;*/ /* Vars.cEz = Ez;*/ /* Vars.ct = t;*/ /* Vars.cphi = phi;*/ /* }*/ pp = Monitor_nD_Trace (&DEFS, &Vars, _particle); if (pp == 0.0) { ABSORB; } else if (pp == 1) { SCATTER; } if (Vars.Flag_parallel) /* back to photon state before detection */ Flag_Restore = 1; } /* end if intersection */ else { if (Vars.Flag_Absorb && !Vars.Flag_parallel) { // restore x-ray before absorbing for correct mcdisplay RESTORE_XRAY (INDEX_CURRENT_COMP, x, y, z, kx, ky, kz, phi, t, Ex, Ey, Ez, p); ABSORB; } else Flag_Restore = 1; /* no intersection, back to previous state */ } if (Flag_Restore) { RESTORE_XRAY (INDEX_CURRENT_COMP, x, y, z, kx, ky, kz, phi, t, Ex, Ey, Ez, p); } #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + kx + ky + kz + x + y + z + phi)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(kx) + fabs(ky) + fabs(kz) + fabs(x) + fabs(y) + fabs(z) + fabs(phi))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(phi) || isinf(phi)) printf("NAN or INF found in phi, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kx) || isinf(kx)) printf("NAN or INF found in kx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(ky) || isinf(ky)) printf("NAN or INF found in ky, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kz) || isinf(kz)) printf("NAN or INF found in kz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef user1 #undef user2 #undef user3 #undef xwidth #undef yheight #undef zdepth #undef bins #undef min #undef max #undef restore_xray #undef radius #undef options #undef filename #undef geometry #undef nowritefile #undef username1 #undef username2 #undef username3 #undef DEFS #undef Vars #undef detector #undef offdata return; } /* class_Monitor_nD_trace */ void class_Fluorescence_trace(_class_Fluorescence *_comp , _class_particle *_particle) { ABSORBED=SCATTERED=RESTORE=0; #define geometry (_comp->_parameters.geometry) #define radius (_comp->_parameters.radius) #define thickness (_comp->_parameters.thickness) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define concentric (_comp->_parameters.concentric) #define material (_comp->_parameters.material) #define packing_factor (_comp->_parameters.packing_factor) #define rho (_comp->_parameters.rho) #define density (_comp->_parameters.density) #define weight (_comp->_parameters.weight) #define p_interact (_comp->_parameters.p_interact) #define target_x (_comp->_parameters.target_x) #define target_y (_comp->_parameters.target_y) #define target_z (_comp->_parameters.target_z) #define focus_r (_comp->_parameters.focus_r) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define focus_aw (_comp->_parameters.focus_aw) #define focus_ah (_comp->_parameters.focus_ah) #define target_index (_comp->_parameters.target_index) #define flag_compton (_comp->_parameters.flag_compton) #define flag_rayleigh (_comp->_parameters.flag_rayleigh) #define flag_lorentzian (_comp->_parameters.flag_lorentzian) #define flag_kissel (_comp->_parameters.flag_kissel) #define flag_low_z (_comp->_parameters.flag_low_z) #define order (_comp->_parameters.order) #define compound (_comp->_parameters.compound) #define cum_massFractions (_comp->_parameters.cum_massFractions) #define cum_xs_fluo (_comp->_parameters.cum_xs_fluo) #define cum_xs_Compton (_comp->_parameters.cum_xs_Compton) #define cum_xs_Rayleigh (_comp->_parameters.cum_xs_Rayleigh) #define xs_fluo (_comp->_parameters.xs_fluo) #define xs_Compton (_comp->_parameters.xs_Compton) #define xs_Rayleigh (_comp->_parameters.xs_Rayleigh) #define shape (_comp->_parameters.shape) #define offdata (_comp->_parameters.offdata) #define n_fluo (_comp->_parameters.n_fluo) #define n_Compton (_comp->_parameters.n_Compton) #define n_Rayleigh (_comp->_parameters.n_Rayleigh) #define p_fluo (_comp->_parameters.p_fluo) #define p_Compton (_comp->_parameters.p_Compton) #define p_Rayleigh (_comp->_parameters.p_Rayleigh) #define reuse_nb (_comp->_parameters.reuse_nb) #define reuse_intersect (_comp->_parameters.reuse_intersect) #define reuse_ki (_comp->_parameters.reuse_ki) #define reuse_l0 (_comp->_parameters.reuse_l0) #define reuse_l1 (_comp->_parameters.reuse_l1) #define reuse_l2 (_comp->_parameters.reuse_l2) #define reuse_l3 (_comp->_parameters.reuse_l3) #define reuse_sigma_barn (_comp->_parameters.reuse_sigma_barn) #define reuse_cum_xs_fluo (_comp->_parameters.reuse_cum_xs_fluo) #define reuse_cum_xs_Compton (_comp->_parameters.reuse_cum_xs_Compton) #define reuse_cum_xs_Rayleigh (_comp->_parameters.reuse_cum_xs_Rayleigh) #define reuse_xs_fluo (_comp->_parameters.reuse_xs_fluo) #define reuse_xs_Compton (_comp->_parameters.reuse_xs_Compton) #define reuse_xs_Rayleigh (_comp->_parameters.reuse_xs_Rayleigh) SIG_MESSAGE("[_absorption_sample_trace] component absorption_sample=Fluorescence() TRACE [Fluorescence:0]"); int intersect=0; /* flag to continue/stop */ int reuse =0; /* flag raised when reusing (SPLIT) */ int type =-1; /* type of interaction */ double l0, l1, l2, l3; /* distances for intersections */ double dl0, dl1, dl2, dl; /* distance intervals */ int flag_concentric = 0; int flag_ishollow = 0; int event_counter = 0; /* scattering event counter (multiple fluorescence) */ int force_transmit = 0; /* Flag to handle cross-section weighting in case of finite order */ double sigma_barn=0, xs[5]; /* cross sections [barn/atom] fluo/Compton/Rayleigh/diff/transmit */ double aim_x=0, aim_y=0, aim_z=1; /* Position of target relative to scattering point */ #ifdef OPENACC #ifdef USE_OFF off_struct thread_offdata = offdata; #endif #else #define thread_offdata offdata #endif double k, E; double ki,pi; /* Store Initial photon state */ k = ki = sqrt(kx*kx+ky*ky+kz*kz); // Angs-1 E = K2E*k; // keV pi = p; // used to test for multiple fluo weighting and order cutoff do { /* while (intersect) Loop over multiple scattering events */ // test for a SPLIT event (same particle comes in) l0=l1=l2=l3=dl0=dl1=dl2=0; if (!event_counter && fabs(reuse_ki - ki) < 1e-15) { reuse = 1; reuse_nb++; // use cached values and skip actual computation intersect = reuse_intersect; l0 = reuse_l0; l1 = reuse_l1; l2 = reuse_l2; l3 = reuse_l3; } else { // we have a different event: compute intersection lengths /* ========================================================================== */ /* GEOMETRY */ /* ========================================================================== */ /* Intersection photon trajectory / sample (sample surface) */ if (thickness >= 0) { if (shape==0) intersect=cylinder_intersect(&l0,&l3, x,y,z,kx,ky,kz, radius,yheight); else if (shape==1) intersect=box_intersect (&l0,&l3, x,y,z,kx,ky,kz, xwidth,yheight,zdepth); else if (shape==2) intersect=sphere_intersect (&l0,&l3, x,y,z,kx,ky,kz, radius); #ifdef USE_OFF else if (shape == 3) intersect=off_x_intersect(&l0, &l3, NULL, NULL, x, y, z, kx,ky,kz, thread_offdata ); #endif } else { if (shape==0) intersect=cylinder_intersect(&l0,&l3, x,y,z,kx,ky,kz, radius-thickness, yheight-2*thickness > 0 ? yheight-2*thickness : yheight); else if (shape==1) intersect=box_intersect (&l0,&l3, x,y,z,kx,ky,kz, xwidth-2*thickness > 0 ? xwidth-2*thickness : xwidth, yheight-2*thickness > 0 ? yheight-2*thickness : yheight, zdepth-2*thickness > 0 ? zdepth-2*thickness : zdepth); else if (shape==2) intersect=sphere_intersect (&l0,&l3, x,y,z,kx,ky,kz, radius-thickness); #ifdef USE_OFF else if (shape == 3) intersect=off_x_intersect(&l0, &l3, NULL, NULL, x, y, z, kx,ky,kz, thread_offdata ); #endif } /* Computing the intermediate lengths */ if (intersect && p_interact >= 0) { flag_ishollow = 0; if (thickness > 0) { if (shape==0 && cylinder_intersect(&l1,&l2, x,y,z,kx,ky,kz, radius-thickness, yheight-2*thickness > 0 ? yheight-2*thickness : yheight)) flag_ishollow=1; else if (shape==2 && sphere_intersect (&l1,&l2, x,y,z,kx,ky,kz, radius-thickness)) flag_ishollow=1; else if (shape==1 && box_intersect(&l1,&l2, x,y,z,kx,ky,kz, xwidth-2*thickness > 0 ? xwidth-2*thickness : xwidth, yheight-2*thickness > 0 ? yheight-2*thickness : yheight, zdepth-2*thickness > 0 ? zdepth-2*thickness : zdepth)) flag_ishollow=1; } else if (thickness<0) { if (shape==0 && cylinder_intersect(&l1,&l2, x,y,z,kx,ky,kz, radius,yheight)) flag_ishollow=1; else if (shape==2 && sphere_intersect (&l1,&l2, x,y,z,kx,ky,kz, radius)) flag_ishollow=1; else if (shape==1 && box_intersect(&l1,&l2, x,y,z,kx,ky,kz, xwidth, yheight, zdepth)) flag_ishollow=1; } if (l3 > 1000) l3=0; // we passed the sample, far away if (!flag_ishollow) l1 = l2 = l3; /* no empty space inside */ } /* if intersect */ // store values for potential next SPLIT if (!event_counter) { reuse_intersect = intersect; reuse_l0 = l0; reuse_l1 = l1; reuse_l2 = l2; reuse_l3 = l3; reuse_ki = ki; } reuse = 0; } // if !reuse (SPLIT) if (intersect) { /* the photon hits the sample */ if (l0 > 0) { /* we are before the sample */ PROP_DL(l0); /* propagates photon to the entry of the sample */ } else if (l1 > 0 && l1 > l0) { /* we are inside first part of the sample */ /* no propagation, stay inside */ } else if (l2 > 0 && l2 > l1) { /* we are in the hole */ PROP_DL(l2); /* propagate to inner surface of 2nd part of sample */ } else if (l3 > 0 && l3 > l2) { /* we are in the 2nd part of sample */ /* no propagation, stay inside */ } dl0=l1-(l0 > 0 ? l0 : 0); /* Distance in first part of hollow/cylinder/box */ dl1=l2-(l1 > 0 ? l1 : 0); /* Distance in hole */ dl2=l3-(l2 > 0 ? l2 : 0); /* Distance in 2nd part of hollow cylinder */ if (dl0 < 0) dl0 = 0; if (dl1 < 0) dl1 = 0; if (dl2 < 0) dl2 = 0; /* initialize concentric mode */ if (concentric && !flag_concentric && l0 >= 0 && shape==0 && thickness) { flag_concentric=1; } if (flag_concentric == 1) { dl1=dl2=0; /* force exit when reaching hole/2nd part */ } if (!dl0 && !dl2) { intersect = 0; /* the sample was passed entirely */ } } // if intersect (geometry) /* ========================================================================== */ /* INTERACTION PROCESS */ /* ========================================================================== */ xs[FLUORESCENCE]=xs[COMPTON]=xs[RAYLEIGH]=xs[TRANSMISSION]=xs[DIFFRACTION]=sigma_barn=0; cum_xs_fluo[0] = cum_xs_Compton[0] = cum_xs_Rayleigh[0] = 0; if (intersect) { double my_s; int i_Z,i; int flag=0; double d_path, p_trans, p_scatt, mc_trans, mc_scatt; /* actual fluorescence calculation */ /* compute total scattering cross section for incoming photon energy Ei */ /* compute each contribution XS */ if (!reuse) { for (i_Z=0; i_Z< compound->nElements; i_Z++) { int Z = compound->Elements[i_Z]; double frac= compound->massFractions[i_Z]; double xs_Z[3]; // get Fluorescence xs XRMC_CrossSections(Z, E, xs_Z, flag_kissel); // [barn/atom] // local XS for atom (Z) xs_fluo[i_Z+1] = frac*xs_Z[FLUORESCENCE]; xs_Compton[i_Z+1] = frac*xs_Z[COMPTON]; xs_Rayleigh[i_Z+1] = frac*xs_Z[RAYLEIGH]; // selection on cumulated distribution xs*frac cum_xs_fluo[i_Z+1] = cum_xs_fluo[i_Z] +xs_fluo[i_Z+1]; cum_xs_Compton[i_Z+1] = cum_xs_Compton[i_Z] +xs_Compton[i_Z+1]; cum_xs_Rayleigh[i_Z+1] = cum_xs_Rayleigh[i_Z]+xs_Rayleigh[i_Z+1]; for (i=0; i<3; i++) { xs[i] += frac*xs_Z[i]; } } // for Z in compound for (i=0; i<3; i++) sigma_barn += xs[i]; // total XS // store values into cache for SPLIT if (!event_counter) { for (i_Z=0; i_Z< compound->nElements+1; i_Z++) { reuse_cum_xs_fluo[i_Z] = cum_xs_fluo[i_Z]; reuse_cum_xs_Compton[i_Z] = cum_xs_Compton[i_Z]; reuse_cum_xs_Rayleigh[i_Z] = cum_xs_Rayleigh[i_Z]; reuse_xs_fluo[i_Z] = xs_fluo[i_Z]; reuse_xs_Compton[i_Z] = xs_Compton[i_Z]; reuse_xs_Rayleigh[i_Z] = xs_Rayleigh[i_Z]; } reuse_sigma_barn = sigma_barn; } } else { // reuse cached values (SPLIT), event_counter=0 for (i_Z=0; i_Z< compound->nElements+1; i_Z++) { cum_xs_fluo[i_Z] = reuse_cum_xs_fluo[i_Z]; cum_xs_Compton[i_Z] = reuse_cum_xs_Compton[i_Z]; cum_xs_Rayleigh[i_Z] = reuse_cum_xs_Rayleigh[i_Z]; xs[FLUORESCENCE] += reuse_cum_xs_fluo[i_Z]; xs[COMPTON] += reuse_cum_xs_Compton[i_Z]; xs[RAYLEIGH] += reuse_cum_xs_Rayleigh[i_Z]; xs_fluo[i_Z] = reuse_xs_fluo[i_Z]; xs_Compton[i_Z] = reuse_xs_Compton[i_Z]; xs_Rayleigh[i_Z] = reuse_xs_Rayleigh[i_Z]; } sigma_barn = reuse_sigma_barn; } // printf("DEBUG: pi=%g p=%g ; ki=%g k=%g ; xs=[%g %g %g] type=FOLLOW sigma_barn=%g\n", // pi, p, ki, k, xs[0], xs[1], xs[2], sigma_barn); /* probability to absorb/scatter */ my_s = rho*100*sigma_barn; /* mu, 100: convert from barns to fm^2. my_s in [1/m] */ d_path = ( dl0 +dl2 ); /* total path lenght in sample */ /* Proba of transmission/interaction along length d_path */ p_trans = exp(-my_s*d_path); /* probability to not-interact (transmit) */ p_scatt = 1 - p_trans; /* portion of beam which scatters */ /* force a given fraction of the beam to scatter */ if (!event_counter && p_interact>0 && p_interact<=1) { /* we force a portion of the beam to interact */ /* This is used to improve statistics */ mc_trans = 1-p_interact; } else { mc_trans = p_trans; /* 1 - p_scatt */ } mc_scatt = 1 - mc_trans; /* portion of beam to scatter (or force to) */ if (mc_scatt <= 0) ABSORB; if (!force_transmit && mc_scatt > 0 && (mc_scatt >= 1 || rand01() < mc_scatt)) { /* we "scatter" with one of the interaction processes */ dl = -log(1 - rand0max((1 - exp(-my_s*d_path)))) / my_s; /* length */ /* If t0 is in hole, propagate to next part of the hollow cylinder */ if (dl1 > 0 && dl0 > 0 && dl > dl0) dl += dl1; /* photon propagation to the scattering point */ PROP_DL(dl); p *= fabs(p_scatt/mc_scatt); /* account for p_interact, lower than 1 */ } else { // force_transmit /* we go through the material without interaction, and exit */ if (type <0) type = TRANSMISSION; // transmission intersect = 0; PROP_DL(d_path); /* attenuate beam by portion which is scattered (and left along) */ p *= p_trans; if (!event_counter && p_interact>0 && p_interact<=1) p /= mc_trans; // printf("DEBUG: pi=%g p=%g ; ki=%g k=%g ; xs=[%g %g %g] type=TRANSMIT\n", // pi, p, ki, k, xs[0], xs[1], xs[2]); break; // end while (intersect) } } /* if intersect (propagate) */ if (intersect) { /* scattering event */ int i_Z, Z; double solid_angle=0; double theta, dsigma; double Ef, dE; double kf=k, kf_x, kf_y, kf_z; // next particle direction /* MC choose process from cross sections 'xs': fluo, Rayleigh, Compton */ type = XRMC_SelectInteraction(xs, COMPTON+1, rand01()); // up to COMPTON /* choose Z (element) on associated XS, taking into account mass-fractions */ if (flag_low_z) { i_Z = (int)floor(compound->nElements * rand01()); switch (type) { case FLUORESCENCE: p *= xs_fluo[i_Z+1]/xs[type]; break; case RAYLEIGH: p *= xs_Rayleigh[i_Z+1]/xs[type]; break; case COMPTON: p *= xs_Compton[i_Z+1]/xs[type]; break; default: // printf("%s: WARNING: process %i unknown. Absorb.\n", NAME_CURRENT_COMP, type); ABSORB; } } else { switch (type) { case FLUORESCENCE: i_Z = XRMC_SelectFromDistribution(cum_xs_fluo, compound->nElements+1, rand01()); break; case RAYLEIGH: if (!flag_rayleigh) ABSORB; i_Z = XRMC_SelectFromDistribution(cum_xs_Rayleigh, compound->nElements+1, rand01()); break; case COMPTON: if (!flag_compton) ABSORB; i_Z = XRMC_SelectFromDistribution(cum_xs_Compton, compound->nElements+1, rand01()); break; default: // printf("%s: WARNING: process %i unknown. Absorb.\n", NAME_CURRENT_COMP, type); ABSORB; } } Z = compound->Elements[i_Z]; /* select outgoing vector (kf_x, kf_y, kf_z) and |kf| */ if ((target_x || target_y || target_z)) { aim_x = target_x-x; /* Vector pointing at target (anal./det.) */ aim_y = target_y-y; aim_z = target_z-z; } if(focus_aw && focus_ah) { randvec_target_rect_angular(&kf_x, &kf_y, &kf_z, &solid_angle, aim_x, aim_y, aim_z, focus_aw, focus_ah, ROT_A_CURRENT_COMP); } else if(focus_xw && focus_yh) { randvec_target_rect(&kf_x, &kf_y, &kf_z, &solid_angle, aim_x, aim_y, aim_z, focus_xw, focus_yh, ROT_A_CURRENT_COMP); } else { randvec_target_circle(&kf_x, &kf_y, &kf_z, &solid_angle, aim_x, aim_y, aim_z, focus_r); } p *= solid_angle/(4*PI); // correct for selected solid-angle NORM(kf_x, kf_y, kf_z); // normalize the outout direction |kf|=1 // determine final energy (kf) switch (type) { case FLUORESCENCE: /* 0 Fluo: choose line */ Ef = XRMC_SelectFluorescenceEnergy(Z, E, &dE, flag_kissel, rand01()); // dE full-width in keV if (dE) { dE /= 2; // half-width if (flag_lorentzian) dE *= tan(PI/2*randpm1()); // Lorentzian distribution else dE *= randnorm(); // Gaussian distribution Ef = Ef + dE; } kf = Ef*E2K; theta = acos(scalar_prod(kf_x,kf_y, kf_z, kx,ky,kz)/k); /* add polarisation factor */ if (Ex!=0 || Ey!=0 || Ez!=0){ double EE=sqrt(Ex*Ex+Ey*Ey+Ez*Ez); double s=scalar_prod(kf_x,kf_y,kf_z,Ex,Ey,Ez)/EE; p *= (1-s)*(1-s); } else { /*unpolarized light in - means an effective reduction according to only theta*/ p *= (1+cos(theta)*cos(theta))*0.5; } n_fluo++; p_fluo += p; break; case RAYLEIGH: /* 1 Rayleigh: Coherent, elastic */ theta = acos(scalar_prod(kf_x,kf_y, kf_z, kx,ky,kz)/k); dsigma = DCSb_Rayl(Z, E, theta, NULL); // [barn/at/st] p *= 4*PI*dsigma/xs[RAYLEIGH]; n_Rayleigh++; p_Rayleigh += p; break; case COMPTON: /* 2 Compton: Incoherent: choose final energy */ theta = acos(scalar_prod(kf_x,kf_y, kf_z, kx,ky,kz)/k); dsigma = DCS_Compt(Z, E, theta, NULL); // [barn/at/st] kf = ComptonEnergy(E, theta, NULL)*E2K; /* XRayLib, fraction of emc2=511 keV */ p *= 4*PI*dsigma/xs[COMPTON]; n_Compton++; p_Compton += p; break; } kx = kf*kf_x; ky = kf*kf_y; kz = kf*kf_z; k = kf; E = k*K2E; SCATTER; event_counter++; /* exit if multiple scattering order has been reached */ if (!order) break; // skip final absorption // stop when order has been reached, or weighting is very low if (order && (event_counter >= order || p/pi < 1e-15)) { force_transmit=1; } } // if intersect (scatter) // if (type>=0) // printf("DEBUG: pi=%g p=%g ; ki=%g k=%g ; xs=[%g %g %g] type=%i sigma_barn=%g %s\n", // pi, p, ki, k, xs[0], xs[1], xs[2], type, sigma_barn, reuse ? "SPLIT" : ""); } while(intersect); /* end do (intersect) (multiple scattering loop) */ #ifndef NOABSORB_INF_NAN /* Check for nan or inf particle parms */ if(isnan(p + t + kx + ky + kz + x + y + z + phi)) ABSORB; if(isinf(fabs(p) + fabs(t) + fabs(kx) + fabs(ky) + fabs(kz) + fabs(x) + fabs(y) + fabs(z) + fabs(phi))) ABSORB; #else if(isnan(p) || isinf(p)) printf("NAN or INF found in p, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(t) || isinf(t)) printf("NAN or INF found in t, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(phi) || isinf(phi)) printf("NAN or INF found in phi, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kx) || isinf(kx)) printf("NAN or INF found in kx, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(ky) || isinf(ky)) printf("NAN or INF found in ky, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(kz) || isinf(kz)) printf("NAN or INF found in kz, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(x) || isinf(x)) printf("NAN or INF found in x, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(y) || isinf(y)) printf("NAN or INF found in y, %s (particle %lld)\n",_comp->_name,_particle->_uid); if(isnan(z) || isinf(z)) printf("NAN or INF found in z, %s (particle %lld)\n",_comp->_name,_particle->_uid); #endif #undef geometry #undef radius #undef thickness #undef xwidth #undef yheight #undef zdepth #undef concentric #undef material #undef packing_factor #undef rho #undef density #undef weight #undef p_interact #undef target_x #undef target_y #undef target_z #undef focus_r #undef focus_xw #undef focus_yh #undef focus_aw #undef focus_ah #undef target_index #undef flag_compton #undef flag_rayleigh #undef flag_lorentzian #undef flag_kissel #undef flag_low_z #undef order #undef compound #undef cum_massFractions #undef cum_xs_fluo #undef cum_xs_Compton #undef cum_xs_Rayleigh #undef xs_fluo #undef xs_Compton #undef xs_Rayleigh #undef shape #undef offdata #undef n_fluo #undef n_Compton #undef n_Rayleigh #undef p_fluo #undef p_Compton #undef p_Rayleigh #undef reuse_nb #undef reuse_intersect #undef reuse_ki #undef reuse_l0 #undef reuse_l1 #undef reuse_l2 #undef reuse_l3 #undef reuse_sigma_barn #undef reuse_cum_xs_fluo #undef reuse_cum_xs_Compton #undef reuse_cum_xs_Rayleigh #undef reuse_xs_fluo #undef reuse_xs_Compton #undef reuse_xs_Rayleigh return; } /* class_Fluorescence_trace */ /* ***************************************************************************** * instrument 'SOLEIL_ROCK' TRACE ***************************************************************************** */ #ifndef FUNNEL #pragma acc routine int raytrace(_class_particle* _particle) { /* single event propagation, called by mccode_main for SOLEIL_ROCK:TRACE */ /* init variables and counters for TRACE */ #undef ABSORB0 #undef ABSORB #define ABSORB0 do { DEBUG_ABSORB(); MAGNET_OFF; ABSORBED++;} while(0) #define ABSORB ABSORB0 DEBUG_ENTER(); DEBUG_STATE(); _particle->flag_nocoordschange=0; /* Init */ _class_particle _particle_save=*_particle; /* the main iteration loop for one incoming event */ while (!ABSORBED) { /* iterate event until absorbed */ /* send particle event to component instance, one after the other */ /* begin component Origin=Progress_bar() [1] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_Origin_var._rotation_is_identity) { if(!_Origin_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _Origin_var._position_relative),&x, &y, &z); } } else { mccoordschange(_Origin_var._position_relative, _Origin_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 1) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_Origin_var._name); DEBUG_STATE(); class_Progress_bar_trace(&_Origin_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component Origin [1] */ /* begin component Source=Bending_magnet() [2] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_Source_var._rotation_is_identity) { if(!_Source_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _Source_var._position_relative),&x, &y, &z); } } else { mccoordschange(_Source_var._position_relative, _Source_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 2) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_Source_var._name); DEBUG_STATE(); class_Bending_magnet_trace(&_Source_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component Source [2] */ /* begin component slit1=Slit() [3] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_slit1_var._rotation_is_identity) { if(!_slit1_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _slit1_var._position_relative),&x, &y, &z); } } else { mccoordschange(_slit1_var._position_relative, _slit1_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 3) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_slit1_var._name); DEBUG_STATE(); class_Slit_trace(&_slit1_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component slit1 [3] */ /* begin component slit2=Slit() [4] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_slit2_var._rotation_is_identity) { if(!_slit2_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _slit2_var._position_relative),&x, &y, &z); } } else { mccoordschange(_slit2_var._position_relative, _slit2_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 4) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_slit2_var._name); DEBUG_STATE(); class_Slit_trace(&_slit2_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component slit2 [4] */ /* begin component mirror_m1=Mirror_toroid_pothole() [5] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_mirror_m1_var._rotation_is_identity) { if(!_mirror_m1_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _mirror_m1_var._position_relative),&x, &y, &z); } } else { mccoordschange(_mirror_m1_var._position_relative, _mirror_m1_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 5) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_mirror_m1_var._name); DEBUG_STATE(); class_Mirror_toroid_pothole_trace(&_mirror_m1_var, _particle); /* contains EXTEND code */ if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component mirror_m1 [5] */ /* begin component mirror_m1_out=Arm() [6] */ if (!ABSORBED && _particle->_index == 6) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component mirror_m1_out [6] */ /* begin component slit3_xy=PSD_monitor() [7] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_slit3_xy_var._rotation_is_identity) { if(!_slit3_xy_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _slit3_xy_var._position_relative),&x, &y, &z); } } else { mccoordschange(_slit3_xy_var._position_relative, _slit3_xy_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 7) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_slit3_xy_var._name); DEBUG_STATE(); class_PSD_monitor_trace(&_slit3_xy_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component slit3_xy [7] */ /* begin component slit3_div=Divergence_monitor() [8] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_slit3_div_var._rotation_is_identity) { if(!_slit3_div_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _slit3_div_var._position_relative),&x, &y, &z); } } else { mccoordschange(_slit3_div_var._position_relative, _slit3_div_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 8) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_slit3_div_var._name); DEBUG_STATE(); class_Divergence_monitor_trace(&_slit3_div_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component slit3_div [8] */ /* begin component slit3=Slit() [9] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_slit3_var._rotation_is_identity) { if(!_slit3_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _slit3_var._position_relative),&x, &y, &z); } } else { mccoordschange(_slit3_var._position_relative, _slit3_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 9) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_slit3_var._name); DEBUG_STATE(); class_Slit_trace(&_slit3_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component slit3 [9] */ /* begin component mirror_m2a=Mirror() [10] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_mirror_m2a_var._rotation_is_identity) { if(!_mirror_m2a_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _mirror_m2a_var._position_relative),&x, &y, &z); } } else { mccoordschange(_mirror_m2a_var._position_relative, _mirror_m2a_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 10) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_mirror_m2a_var._name); DEBUG_STATE(); class_Mirror_trace(&_mirror_m2a_var, _particle); /* contains EXTEND code */ if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component mirror_m2a [10] */ /* begin component mirror_m2a_out=Arm() [11] */ if (!ABSORBED && _particle->_index == 11) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component mirror_m2a_out [11] */ /* begin component slit4_in=PSD_monitor() [12] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_slit4_in_var._rotation_is_identity) { if(!_slit4_in_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _slit4_in_var._position_relative),&x, &y, &z); } } else { mccoordschange(_slit4_in_var._position_relative, _slit4_in_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 12) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_slit4_in_var._name); DEBUG_STATE(); class_PSD_monitor_trace(&_slit4_in_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component slit4_in [12] */ /* begin component slit4=Slit() [13] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_slit4_var._rotation_is_identity) { if(!_slit4_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _slit4_var._position_relative),&x, &y, &z); } } else { mccoordschange(_slit4_var._position_relative, _slit4_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 13) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_slit4_var._name); DEBUG_STATE(); class_Slit_trace(&_slit4_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component slit4 [13] */ /* begin component arm_crystal0=Arm() [14] */ if (!ABSORBED && _particle->_index == 14) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component arm_crystal0 [14] */ /* begin component bragg_crystal=Bragg_crystal() [15] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_bragg_crystal_var._rotation_is_identity) { if(!_bragg_crystal_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _bragg_crystal_var._position_relative),&x, &y, &z); } } else { mccoordschange(_bragg_crystal_var._position_relative, _bragg_crystal_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 15) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_bragg_crystal_var._name); DEBUG_STATE(); class_Bragg_crystal_trace(&_bragg_crystal_var, _particle); /* contains EXTEND code */ if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component bragg_crystal [15] */ /* begin component arm_crystal1=Arm() [16] */ if (!ABSORBED && _particle->_index == 16) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component arm_crystal1 [16] */ /* begin component bragg_crystal_two=Bragg_crystal() [17] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_bragg_crystal_two_var._rotation_is_identity) { if(!_bragg_crystal_two_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _bragg_crystal_two_var._position_relative),&x, &y, &z); } } else { mccoordschange(_bragg_crystal_two_var._position_relative, _bragg_crystal_two_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 17) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_bragg_crystal_two_var._name); DEBUG_STATE(); class_Bragg_crystal_trace(&_bragg_crystal_two_var, _particle); /* contains EXTEND code */ if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component bragg_crystal_two [17] */ /* begin component arm_crystal2=Arm() [18] */ if (!ABSORBED && _particle->_index == 18) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component arm_crystal2 [18] */ /* begin component bragg_crystal_out=PSD_monitor() [19] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_bragg_crystal_out_var._rotation_is_identity) { if(!_bragg_crystal_out_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _bragg_crystal_out_var._position_relative),&x, &y, &z); } } else { mccoordschange(_bragg_crystal_out_var._position_relative, _bragg_crystal_out_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 19) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_bragg_crystal_out_var._name); DEBUG_STATE(); class_PSD_monitor_trace(&_bragg_crystal_out_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component bragg_crystal_out [19] */ /* begin component slit5=Slit() [20] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_slit5_var._rotation_is_identity) { if(!_slit5_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _slit5_var._position_relative),&x, &y, &z); } } else { mccoordschange(_slit5_var._position_relative, _slit5_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 20) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_slit5_var._name); DEBUG_STATE(); class_Slit_trace(&_slit5_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component slit5 [20] */ /* begin component slit6=Slit() [21] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_slit6_var._rotation_is_identity) { if(!_slit6_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _slit6_var._position_relative),&x, &y, &z); } } else { mccoordschange(_slit6_var._position_relative, _slit6_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 21) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_slit6_var._name); DEBUG_STATE(); class_Slit_trace(&_slit6_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component slit6 [21] */ /* begin component mirror_m2b=Mirror_curved() [22] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_mirror_m2b_var._rotation_is_identity) { if(!_mirror_m2b_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _mirror_m2b_var._position_relative),&x, &y, &z); } } else { mccoordschange(_mirror_m2b_var._position_relative, _mirror_m2b_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 22) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_mirror_m2b_var._name); DEBUG_STATE(); class_Mirror_curved_trace(&_mirror_m2b_var, _particle); /* contains EXTEND code */ if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component mirror_m2b [22] */ /* begin component mirror_m2b_out=Arm() [23] */ if (!ABSORBED && _particle->_index == 23) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle->_index++; } /* end component mirror_m2b_out [23] */ /* begin component EnergyMonitor_before_sample=Monitor_nD() [24] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_EnergyMonitor_before_sample_var._rotation_is_identity) { if(!_EnergyMonitor_before_sample_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _EnergyMonitor_before_sample_var._position_relative),&x, &y, &z); } } else { mccoordschange(_EnergyMonitor_before_sample_var._position_relative, _EnergyMonitor_before_sample_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 24) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_EnergyMonitor_before_sample_var._name); DEBUG_STATE(); class_Monitor_nD_trace(&_EnergyMonitor_before_sample_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component EnergyMonitor_before_sample [24] */ /* begin component e_repartition_after_m2b=Monitor_nD() [25] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_e_repartition_after_m2b_var._rotation_is_identity) { if(!_e_repartition_after_m2b_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _e_repartition_after_m2b_var._position_relative),&x, &y, &z); } } else { mccoordschange(_e_repartition_after_m2b_var._position_relative, _e_repartition_after_m2b_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 25) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_e_repartition_after_m2b_var._name); DEBUG_STATE(); class_Monitor_nD_trace(&_e_repartition_after_m2b_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component e_repartition_after_m2b [25] */ /* begin component sample_in=PSD_monitor() [26] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_sample_in_var._rotation_is_identity) { if(!_sample_in_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _sample_in_var._position_relative),&x, &y, &z); } } else { mccoordschange(_sample_in_var._position_relative, _sample_in_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 26) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_sample_in_var._name); DEBUG_STATE(); class_PSD_monitor_trace(&_sample_in_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component sample_in [26] */ #ifndef NOSPLIT /* start SPLIT at absorption_sample */ if (!ABSORBED) { _class_particle Split_absorption_sample_particle=*_particle; int Split_absorption_sample_counter; int SplitS_absorption_sample = 10; #pragma acc loop independent for (Split_absorption_sample_counter = 0; Split_absorption_sample_counter< SplitS_absorption_sample; Split_absorption_sample_counter++) { randstate_t randbackup = *_particle->randstate; *_particle=Split_absorption_sample_particle; *_particle->randstate = randbackup; p /= SplitS_absorption_sample > 0 ? SplitS_absorption_sample : 1; #endif /* begin component absorption_sample=Fluorescence() [27] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_absorption_sample_var._rotation_is_identity) { if(!_absorption_sample_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _absorption_sample_var._position_relative),&x, &y, &z); } } else { mccoordschange(_absorption_sample_var._position_relative, _absorption_sample_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 27) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_absorption_sample_var._name); DEBUG_STATE(); class_Fluorescence_trace(&_absorption_sample_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component absorption_sample [27] */ /* begin component fluo_monitor=Monitor_nD() [28] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_fluo_monitor_var._rotation_is_identity) { if(!_fluo_monitor_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _fluo_monitor_var._position_relative),&x, &y, &z); } } else { mccoordschange(_fluo_monitor_var._position_relative, _fluo_monitor_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 28) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_fluo_monitor_var._name); DEBUG_STATE(); class_Monitor_nD_trace(&_fluo_monitor_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component fluo_monitor [28] */ /* begin component EnergyMonitor_after_sample=Monitor_nD() [29] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_EnergyMonitor_after_sample_var._rotation_is_identity) { if(!_EnergyMonitor_after_sample_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _EnergyMonitor_after_sample_var._position_relative),&x, &y, &z); } } else { mccoordschange(_EnergyMonitor_after_sample_var._position_relative, _EnergyMonitor_after_sample_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 29) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_EnergyMonitor_after_sample_var._name); DEBUG_STATE(); class_Monitor_nD_trace(&_EnergyMonitor_after_sample_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component EnergyMonitor_after_sample [29] */ /* begin component psd_monitor=PSD_monitor() [30] */ if (!_particle->flag_nocoordschange) { // flag activated by JUMP to pass coords change if (_psd_monitor_var._rotation_is_identity) { if(!_psd_monitor_var._position_relative_is_zero) { coords_get(coords_add(coords_set(x,y,z), _psd_monitor_var._position_relative),&x, &y, &z); } } else { mccoordschange(_psd_monitor_var._position_relative, _psd_monitor_var._rotation_relative, _particle); } } if (!ABSORBED && _particle->_index == 30) { _particle->flag_nocoordschange=0; /* Reset if we came here from a JUMP */ _particle_save = *_particle; DEBUG_COMP(_psd_monitor_var._name); DEBUG_STATE(); class_PSD_monitor_trace(&_psd_monitor_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; if (!ABSORBED) { DEBUG_STATE(); } } /* end component psd_monitor [30] */ #ifndef NOSPLIT } /* end SPLIT at absorption_sample */ } /* if (!ABSORBED) relating to SPLIT at absorption_sample */ #endif if (_particle->_index > 30) ABSORBED++; /* absorbed when passed all components */ } /* while !ABSORBED */ DEBUG_LEAVE() particle_restore(_particle, &_particle_save); DEBUG_STATE() return(_particle->_index); } /* raytrace */ /* loop to generate events and call raytrace() propagate them */ void raytrace_all(unsigned long long ncount, unsigned long seed) { /* CPU-loop */ unsigned long long loops; loops = ceil((double)ncount/gpu_innerloop); /* if on GPU, printf has been globally nullified, re-enable here */ #ifdef OPENACC #undef strlen #undef strcmp #undef exit #undef printf #undef sprintf #undef fprintf #endif #ifdef OPENACC if (ncount>gpu_innerloop) { printf("Defining %llu CPU loops around GPU kernel and adjusting ncount\n",loops); mcset_ncount(loops*gpu_innerloop); } else { #endif loops=1; gpu_innerloop = ncount; #ifdef OPENACC } #endif for (unsigned long long cloop=0; cloop1) fprintf(stdout, "%d..", (int)cloop); fflush(stdout); #endif /* if on GPU, re-nullify printf */ #ifdef OPENACC #undef strlen #undef strcmp #undef exit #undef printf #undef sprintf #undef fprintf #endif #pragma acc parallel loop num_gangs(numgangs) vector_length(vecsize) for (unsigned long pidx=0 ; pidx < gpu_innerloop ; pidx++) { _class_particle particleN = mcgenstate(); // initial particle _class_particle* _particle = &particleN; particleN._uid = pidx; #ifdef USE_MPI particleN._uid += mpi_node_rank * ncount; #endif srandom(_hash((pidx+1)*(seed+1))); raytrace(_particle); } /* inner for */ seed = seed+gpu_innerloop; } /* CPU for */ /* if on GPU, printf has been globally nullified, re-enable here */ #ifdef OPENACC #undef strlen #undef strcmp #undef exit #undef printf #undef sprintf #undef fprintf #endif MPI_MASTER( printf("*** TRACE end *** \n"); ); } /* raytrace_all */ #endif //no-FUNNEL #ifdef FUNNEL // Alternative raytrace algorithm which iterates all particles through // one component at the time, can remove absorbs from the next loop and // switch between cpu/gpu. void raytrace_all_funnel(unsigned long long ncount, unsigned long seed) { // set up outer (CPU) loop / particle batches unsigned long long loops; /* if on GPU, printf has been globally nullified, re-enable here */ #ifdef OPENACC #undef strlen #undef strcmp #undef exit #undef printf #undef sprintf #undef fprintf #endif #ifdef OPENACC loops = ceil((double)ncount/gpu_innerloop); if (ncount>gpu_innerloop) { printf("Defining %llu CPU loops around kernel and adjusting ncount\n",loops); mcset_ncount(loops*gpu_innerloop); } else { #endif loops=1; gpu_innerloop = ncount; #ifdef OPENACC } #endif // create particles struct and pointer arrays (same memory used by all batches) _class_particle* particles = malloc(gpu_innerloop*sizeof(_class_particle)); _class_particle* pbuffer = malloc(gpu_innerloop*sizeof(_class_particle)); long livebatchsize = gpu_innerloop; #undef ABSORB0 #undef ABSORB #define ABSORB0 do { DEBUG_ABSORB(); MAGNET_OFF; ABSORBED++; } while(0) #define ABSORB ABSORB0 // outer loop / particle batches for (unsigned long long cloop=0; cloop1) fprintf(stdout, "%d..", (int)cloop); fflush(stdout); // init particles #pragma acc parallel loop present(particles[0:livebatchsize]) for (unsigned long pidx=0 ; pidx < livebatchsize ; pidx++) { // generate particle state, set loop index and seed particles[pidx] = mcgenstate(); _class_particle* _particle = particles + pidx; _particle->_uid = pidx; #ifdef USE_MPI _particle->_uid += mpi_node_rank * ncount; #endif srandom(_hash((pidx+1)*(seed+1))); // _particle->state usage built into srandom macro } // iterate components #pragma acc parallel loop present(particles[0:livebatchsize]) for (unsigned long pidx=0 ; pidx < livebatchsize ; pidx++) { _class_particle* _particle = &particles[pidx]; _class_particle _particle_save; // Origin if (!ABSORBED && _particle->_index == 1) { #ifndef MULTICORE if (_Origin_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _Origin_var._position_relative),&x, &y, &z); else #endif mccoordschange(_Origin_var._position_relative, _Origin_var._rotation_relative, _particle); _particle_save = *_particle; class_Progress_bar_trace(&_Origin_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // Source if (!ABSORBED && _particle->_index == 2) { #ifndef MULTICORE if (_Source_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _Source_var._position_relative),&x, &y, &z); else #endif mccoordschange(_Source_var._position_relative, _Source_var._rotation_relative, _particle); _particle_save = *_particle; class_Bending_magnet_trace(&_Source_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // slit1 if (!ABSORBED && _particle->_index == 3) { #ifndef MULTICORE if (_slit1_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _slit1_var._position_relative),&x, &y, &z); else #endif mccoordschange(_slit1_var._position_relative, _slit1_var._rotation_relative, _particle); _particle_save = *_particle; class_Slit_trace(&_slit1_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // slit2 if (!ABSORBED && _particle->_index == 4) { #ifndef MULTICORE if (_slit2_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _slit2_var._position_relative),&x, &y, &z); else #endif mccoordschange(_slit2_var._position_relative, _slit2_var._rotation_relative, _particle); _particle_save = *_particle; class_Slit_trace(&_slit2_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // mirror_m1 if (!ABSORBED && _particle->_index == 5) { #ifndef MULTICORE if (_mirror_m1_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _mirror_m1_var._position_relative),&x, &y, &z); else #endif mccoordschange(_mirror_m1_var._position_relative, _mirror_m1_var._rotation_relative, _particle); _particle_save = *_particle; class_Mirror_toroid_pothole_trace(&_mirror_m1_var, _particle); /* contains EXTEND code */ if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // mirror_m1_out if (!ABSORBED && _particle->_index == 6) { _particle->_index++; } // slit3_xy if (!ABSORBED && _particle->_index == 7) { #ifndef MULTICORE if (_slit3_xy_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _slit3_xy_var._position_relative),&x, &y, &z); else #endif mccoordschange(_slit3_xy_var._position_relative, _slit3_xy_var._rotation_relative, _particle); _particle_save = *_particle; class_PSD_monitor_trace(&_slit3_xy_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // slit3_div if (!ABSORBED && _particle->_index == 8) { #ifndef MULTICORE if (_slit3_div_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _slit3_div_var._position_relative),&x, &y, &z); else #endif mccoordschange(_slit3_div_var._position_relative, _slit3_div_var._rotation_relative, _particle); _particle_save = *_particle; class_Divergence_monitor_trace(&_slit3_div_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // slit3 if (!ABSORBED && _particle->_index == 9) { #ifndef MULTICORE if (_slit3_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _slit3_var._position_relative),&x, &y, &z); else #endif mccoordschange(_slit3_var._position_relative, _slit3_var._rotation_relative, _particle); _particle_save = *_particle; class_Slit_trace(&_slit3_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // mirror_m2a if (!ABSORBED && _particle->_index == 10) { #ifndef MULTICORE if (_mirror_m2a_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _mirror_m2a_var._position_relative),&x, &y, &z); else #endif mccoordschange(_mirror_m2a_var._position_relative, _mirror_m2a_var._rotation_relative, _particle); _particle_save = *_particle; class_Mirror_trace(&_mirror_m2a_var, _particle); /* contains EXTEND code */ if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // mirror_m2a_out if (!ABSORBED && _particle->_index == 11) { _particle->_index++; } // slit4_in if (!ABSORBED && _particle->_index == 12) { #ifndef MULTICORE if (_slit4_in_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _slit4_in_var._position_relative),&x, &y, &z); else #endif mccoordschange(_slit4_in_var._position_relative, _slit4_in_var._rotation_relative, _particle); _particle_save = *_particle; class_PSD_monitor_trace(&_slit4_in_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // slit4 if (!ABSORBED && _particle->_index == 13) { #ifndef MULTICORE if (_slit4_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _slit4_var._position_relative),&x, &y, &z); else #endif mccoordschange(_slit4_var._position_relative, _slit4_var._rotation_relative, _particle); _particle_save = *_particle; class_Slit_trace(&_slit4_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // arm_crystal0 if (!ABSORBED && _particle->_index == 14) { _particle->_index++; } // bragg_crystal if (!ABSORBED && _particle->_index == 15) { #ifndef MULTICORE if (_bragg_crystal_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _bragg_crystal_var._position_relative),&x, &y, &z); else #endif mccoordschange(_bragg_crystal_var._position_relative, _bragg_crystal_var._rotation_relative, _particle); _particle_save = *_particle; class_Bragg_crystal_trace(&_bragg_crystal_var, _particle); /* contains EXTEND code */ if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // arm_crystal1 if (!ABSORBED && _particle->_index == 16) { _particle->_index++; } // bragg_crystal_two if (!ABSORBED && _particle->_index == 17) { #ifndef MULTICORE if (_bragg_crystal_two_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _bragg_crystal_two_var._position_relative),&x, &y, &z); else #endif mccoordschange(_bragg_crystal_two_var._position_relative, _bragg_crystal_two_var._rotation_relative, _particle); _particle_save = *_particle; class_Bragg_crystal_trace(&_bragg_crystal_two_var, _particle); /* contains EXTEND code */ if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // arm_crystal2 if (!ABSORBED && _particle->_index == 18) { _particle->_index++; } // bragg_crystal_out if (!ABSORBED && _particle->_index == 19) { #ifndef MULTICORE if (_bragg_crystal_out_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _bragg_crystal_out_var._position_relative),&x, &y, &z); else #endif mccoordschange(_bragg_crystal_out_var._position_relative, _bragg_crystal_out_var._rotation_relative, _particle); _particle_save = *_particle; class_PSD_monitor_trace(&_bragg_crystal_out_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // slit5 if (!ABSORBED && _particle->_index == 20) { #ifndef MULTICORE if (_slit5_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _slit5_var._position_relative),&x, &y, &z); else #endif mccoordschange(_slit5_var._position_relative, _slit5_var._rotation_relative, _particle); _particle_save = *_particle; class_Slit_trace(&_slit5_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // slit6 if (!ABSORBED && _particle->_index == 21) { #ifndef MULTICORE if (_slit6_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _slit6_var._position_relative),&x, &y, &z); else #endif mccoordschange(_slit6_var._position_relative, _slit6_var._rotation_relative, _particle); _particle_save = *_particle; class_Slit_trace(&_slit6_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // mirror_m2b if (!ABSORBED && _particle->_index == 22) { #ifndef MULTICORE if (_mirror_m2b_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _mirror_m2b_var._position_relative),&x, &y, &z); else #endif mccoordschange(_mirror_m2b_var._position_relative, _mirror_m2b_var._rotation_relative, _particle); _particle_save = *_particle; class_Mirror_curved_trace(&_mirror_m2b_var, _particle); /* contains EXTEND code */ if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // mirror_m2b_out if (!ABSORBED && _particle->_index == 23) { _particle->_index++; } // EnergyMonitor_before_sample if (!ABSORBED && _particle->_index == 24) { #ifndef MULTICORE if (_EnergyMonitor_before_sample_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _EnergyMonitor_before_sample_var._position_relative),&x, &y, &z); else #endif mccoordschange(_EnergyMonitor_before_sample_var._position_relative, _EnergyMonitor_before_sample_var._rotation_relative, _particle); _particle_save = *_particle; class_Monitor_nD_trace(&_EnergyMonitor_before_sample_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // e_repartition_after_m2b if (!ABSORBED && _particle->_index == 25) { #ifndef MULTICORE if (_e_repartition_after_m2b_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _e_repartition_after_m2b_var._position_relative),&x, &y, &z); else #endif mccoordschange(_e_repartition_after_m2b_var._position_relative, _e_repartition_after_m2b_var._rotation_relative, _particle); _particle_save = *_particle; class_Monitor_nD_trace(&_e_repartition_after_m2b_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // sample_in if (!ABSORBED && _particle->_index == 26) { #ifndef MULTICORE if (_sample_in_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _sample_in_var._position_relative),&x, &y, &z); else #endif mccoordschange(_sample_in_var._position_relative, _sample_in_var._rotation_relative, _particle); _particle_save = *_particle; class_PSD_monitor_trace(&_sample_in_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } #define JUMP_FUNNEL } // SPLIT with available livebatchsize long mult_absorption_sample; livebatchsize = sort_absorb_last(particles, pbuffer, livebatchsize, gpu_innerloop, 1, &mult_absorption_sample); //printf("livebatchsize: %ld, split: %ld\n", livebatchsize, mult); #ifdef MULTICORE #pragma acc parallel loop device_type(host) #endif for (unsigned long pidx=0 ; pidx < livebatchsize ; pidx++) { _class_particle* _particle = &particles[pidx]; _class_particle _particle_save; // absorption_sample if (!ABSORBED && _particle->_index == 27) { #ifndef MULTICORE if (_absorption_sample_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _absorption_sample_var._position_relative),&x, &y, &z); else #endif mccoordschange(_absorption_sample_var._position_relative, _absorption_sample_var._rotation_relative, _particle); _particle_save = *_particle; class_Fluorescence_trace(&_absorption_sample_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } } #pragma acc parallel loop present(particles[0:livebatchsize]) for (unsigned long pidx=0 ; pidx < livebatchsize ; pidx++) { _class_particle* _particle = &particles[pidx]; _class_particle _particle_save; // fluo_monitor if (!ABSORBED && _particle->_index == 28) { #ifndef MULTICORE if (_fluo_monitor_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _fluo_monitor_var._position_relative),&x, &y, &z); else #endif mccoordschange(_fluo_monitor_var._position_relative, _fluo_monitor_var._rotation_relative, _particle); _particle_save = *_particle; class_Monitor_nD_trace(&_fluo_monitor_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // EnergyMonitor_after_sample if (!ABSORBED && _particle->_index == 29) { #ifndef MULTICORE if (_EnergyMonitor_after_sample_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _EnergyMonitor_after_sample_var._position_relative),&x, &y, &z); else #endif mccoordschange(_EnergyMonitor_after_sample_var._position_relative, _EnergyMonitor_after_sample_var._rotation_relative, _particle); _particle_save = *_particle; class_Monitor_nD_trace(&_EnergyMonitor_after_sample_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } // psd_monitor if (!ABSORBED && _particle->_index == 30) { #ifndef MULTICORE if (_psd_monitor_var._rotation_is_identity) coords_get(coords_add(coords_set(x,y,z), _psd_monitor_var._position_relative),&x, &y, &z); else #endif mccoordschange(_psd_monitor_var._position_relative, _psd_monitor_var._rotation_relative, _particle); _particle_save = *_particle; class_PSD_monitor_trace(&_psd_monitor_var, _particle); if (_particle->_restore) particle_restore(_particle, &_particle_save); _particle->_index++; } } // jump to next viable seed seed = seed + gpu_innerloop; } // outer loop / particle batches free(particles); free(pbuffer); printf("\n"); } /* raytrace_all_funnel */ #endif // FUNNEL #undef x #undef y #undef z #undef kx #undef ky #undef kz #undef phi #undef t #undef Ex #undef Ey #undef Ez #undef p #undef _mctmp_a #undef _mctmp_b #undef _mctmp_c #ifdef OPENACC #undef strlen #undef strcmp #undef exit #undef printf #undef sprintf #undef fprintf #endif #undef SCATTERED #undef RESTORE #undef RESTORE_XRAY #undef STORE_XRAY #undef ABSORBED #undef ABSORB #undef ABSORB0 /* ***************************************************************************** * instrument 'SOLEIL_ROCK' and components SAVE ***************************************************************************** */ _class_Progress_bar *class_Progress_bar_save(_class_Progress_bar *_comp ) { #define profile (_comp->_parameters.profile) #define percent (_comp->_parameters.percent) #define flag_save (_comp->_parameters.flag_save) #define minutes (_comp->_parameters.minutes) #define IntermediateCnts (_comp->_parameters.IntermediateCnts) #define StartTime (_comp->_parameters.StartTime) #define EndTime (_comp->_parameters.EndTime) #define CurrentTime (_comp->_parameters.CurrentTime) #define infostring (_comp->_parameters.infostring) SIG_MESSAGE("[_Origin_save] component Origin=Progress_bar() SAVE [Progress_bar:0]"); MPI_MASTER (fprintf (stdout, "\nSave [%s]\n", instrument_name);); if (profile && strlen (profile) && strcmp (profile, "NULL") && strcmp (profile, "0")) { char filename[256]; if (!strlen (profile) || !strcmp (profile, "NULL") || !strcmp (profile, "0")) strcpy (filename, instrument_name); else strcpy (filename, profile); DETECTOR_OUT_1D ("Intensity profiler", "Component index [1]", "Intensity", "prof", 1, mcNUMCOMP, mcNUMCOMP - 1, &(instrument->counter_N[1]), &(instrument->counter_P[1]), &(instrument->counter_P2[1]), filename); } #undef profile #undef percent #undef flag_save #undef minutes #undef IntermediateCnts #undef StartTime #undef EndTime #undef CurrentTime #undef infostring return(_comp); } /* class_Progress_bar_save */ _class_PSD_monitor *class_PSD_monitor_save(_class_PSD_monitor *_comp ) { #define filename (_comp->_parameters.filename) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define radius (_comp->_parameters.radius) #define restore_xray (_comp->_parameters.restore_xray) #define nowritefile (_comp->_parameters.nowritefile) #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define nr (_comp->_parameters.nr) #define PSD_N (_comp->_parameters.PSD_N) #define PSD_p (_comp->_parameters.PSD_p) #define PSD_p2 (_comp->_parameters.PSD_p2) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) SIG_MESSAGE("[_slit3_xy_save] component slit3_xy=PSD_monitor() SAVE [PSD_monitor:0]"); if (!nowritefile) { if (!radius) { if (nx == 1 && ny == 1) { char title[256]; snprintf (title, 255, "Intensity monitor %s", NAME_CURRENT_COMP); DETECTOR_OUT_0D (title, (double)PSD_N[0][0], PSD_p[0][0], PSD_p2[0][0]); } else if (nx == 1) { DETECTOR_OUT_1D ("PSD_monitor", "Y Position[m]", "Intensity", "Y", ymin, ymax, ny, &PSD_N[0][0], &PSD_p[0][0], &PSD_p2[0][0], filename); } else if (ny == 1) { DETECTOR_OUT_1D ("PSD_monitor", "X Position[m]", "Intensity", "X", xmin, xmax, nx, &PSD_N[0][0], &PSD_p[0][0], &PSD_p2[0][0], filename); } else { DETECTOR_OUT_2D ("PSD monitor", "X position [m]", "Y position [m]", xmin, xmax, ymin, ymax, nx, ny, *PSD_N, *PSD_p, *PSD_p2, filename); } } else { DETECTOR_OUT_1D ("PSD_monitor", "Radial Position[m]", "Intensity", "R", 0, radius, nr, &PSD_N[0][0], &PSD_p[0][0], &PSD_p2[0][0], filename); } } #undef filename #undef xwidth #undef yheight #undef radius #undef restore_xray #undef nowritefile #undef nx #undef ny #undef nr #undef PSD_N #undef PSD_p #undef PSD_p2 #undef xmin #undef xmax #undef ymin #undef ymax return(_comp); } /* class_PSD_monitor_save */ _class_Divergence_monitor *class_Divergence_monitor_save(_class_Divergence_monitor *_comp ) { #define nh (_comp->_parameters.nh) #define nv (_comp->_parameters.nv) #define rad (_comp->_parameters.rad) #define filename (_comp->_parameters.filename) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define maxdiv_h (_comp->_parameters.maxdiv_h) #define maxdiv_v (_comp->_parameters.maxdiv_v) #define restore_xray (_comp->_parameters.restore_xray) #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define nz (_comp->_parameters.nz) #define nowritefile (_comp->_parameters.nowritefile) #define Div_N (_comp->_parameters.Div_N) #define Div_p (_comp->_parameters.Div_p) #define Div_p2 (_comp->_parameters.Div_p2) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) SIG_MESSAGE("[_slit3_div_save] component slit3_div=Divergence_monitor() SAVE [Divergence_monitor:0]"); if (!nowritefile) { if (rad) { DETECTOR_OUT_2D ("Divergence monitor", "X divergence [rad]", "Y divergence [rad]", -maxdiv_h, maxdiv_h, -maxdiv_v, maxdiv_v, nh, nv, &Div_N[0][0], &Div_p[0][0], &Div_p2[0][0], filename); } else { DETECTOR_OUT_2D ("Divergence monitor", "X divergence [deg]", "Y divergence [deg]", -maxdiv_h, maxdiv_h, -maxdiv_v, maxdiv_v, nh, nv, &Div_N[0][0], &Div_p[0][0], &Div_p2[0][0], filename); } } #undef nh #undef nv #undef rad #undef filename #undef xwidth #undef yheight #undef maxdiv_h #undef maxdiv_v #undef restore_xray #undef nx #undef ny #undef nz #undef nowritefile #undef Div_N #undef Div_p #undef Div_p2 #undef xmin #undef xmax #undef ymin #undef ymax return(_comp); } /* class_Divergence_monitor_save */ _class_Monitor_nD *class_Monitor_nD_save(_class_Monitor_nD *_comp ) { #define user1 (_comp->_parameters.user1) #define user2 (_comp->_parameters.user2) #define user3 (_comp->_parameters.user3) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define bins (_comp->_parameters.bins) #define min (_comp->_parameters.min) #define max (_comp->_parameters.max) #define restore_xray (_comp->_parameters.restore_xray) #define radius (_comp->_parameters.radius) #define options (_comp->_parameters.options) #define filename (_comp->_parameters.filename) #define geometry (_comp->_parameters.geometry) #define nowritefile (_comp->_parameters.nowritefile) #define username1 (_comp->_parameters.username1) #define username2 (_comp->_parameters.username2) #define username3 (_comp->_parameters.username3) #define DEFS (_comp->_parameters.DEFS) #define Vars (_comp->_parameters.Vars) #define detector (_comp->_parameters.detector) #define offdata (_comp->_parameters.offdata) SIG_MESSAGE("[_EnergyMonitor_before_sample_save] component EnergyMonitor_before_sample=Monitor_nD() SAVE [Monitor_nD:0]"); if (!nowritefile) { /* save results, but do not free pointers */ detector = Monitor_nD_Save (&DEFS, &Vars); } #undef user1 #undef user2 #undef user3 #undef xwidth #undef yheight #undef zdepth #undef bins #undef min #undef max #undef restore_xray #undef radius #undef options #undef filename #undef geometry #undef nowritefile #undef username1 #undef username2 #undef username3 #undef DEFS #undef Vars #undef detector #undef offdata return(_comp); } /* class_Monitor_nD_save */ int save(FILE *handle) { /* called by mccode_main for SOLEIL_ROCK:SAVE */ if (!handle) siminfo_init(NULL); /* call iteratively all components SAVE */ class_Progress_bar_save(&_Origin_var); class_PSD_monitor_save(&_slit3_xy_var); class_Divergence_monitor_save(&_slit3_div_var); class_PSD_monitor_save(&_slit4_in_var); class_PSD_monitor_save(&_bragg_crystal_out_var); class_Monitor_nD_save(&_EnergyMonitor_before_sample_var); class_Monitor_nD_save(&_e_repartition_after_m2b_var); class_PSD_monitor_save(&_sample_in_var); class_Monitor_nD_save(&_fluo_monitor_var); class_Monitor_nD_save(&_EnergyMonitor_after_sample_var); class_PSD_monitor_save(&_psd_monitor_var); if (!handle) siminfo_close(); return(0); } /* save */ /* ***************************************************************************** * instrument 'SOLEIL_ROCK' and components FINALLY ***************************************************************************** */ _class_Progress_bar *class_Progress_bar_finally(_class_Progress_bar *_comp ) { #define profile (_comp->_parameters.profile) #define percent (_comp->_parameters.percent) #define flag_save (_comp->_parameters.flag_save) #define minutes (_comp->_parameters.minutes) #define IntermediateCnts (_comp->_parameters.IntermediateCnts) #define StartTime (_comp->_parameters.StartTime) #define EndTime (_comp->_parameters.EndTime) #define CurrentTime (_comp->_parameters.CurrentTime) #define infostring (_comp->_parameters.infostring) SIG_MESSAGE("[_Origin_finally] component Origin=Progress_bar() FINALLY [Progress_bar:0]"); time_t NowTime; time (&NowTime); fprintf (stdout, "\nFinally [%s: %s]. Time: ", instrument_name, dirname ? dirname : "."); if (difftime (NowTime, StartTime) < 60.0) fprintf (stdout, "%g [s] ", difftime (NowTime, StartTime)); else if (difftime (NowTime, StartTime) > 3600.0) fprintf (stdout, "%g [h] ", difftime (NowTime, StartTime) / 3600.0); else fprintf (stdout, "%g [min] ", difftime (NowTime, StartTime) / 60.0); fprintf (stdout, "\n"); #undef profile #undef percent #undef flag_save #undef minutes #undef IntermediateCnts #undef StartTime #undef EndTime #undef CurrentTime #undef infostring return(_comp); } /* class_Progress_bar_finally */ _class_PSD_monitor *class_PSD_monitor_finally(_class_PSD_monitor *_comp ) { #define filename (_comp->_parameters.filename) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define radius (_comp->_parameters.radius) #define restore_xray (_comp->_parameters.restore_xray) #define nowritefile (_comp->_parameters.nowritefile) #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define nr (_comp->_parameters.nr) #define PSD_N (_comp->_parameters.PSD_N) #define PSD_p (_comp->_parameters.PSD_p) #define PSD_p2 (_comp->_parameters.PSD_p2) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) SIG_MESSAGE("[_slit3_xy_finally] component slit3_xy=PSD_monitor() FINALLY [PSD_monitor:0]"); destroy_darr2d (PSD_N); destroy_darr2d (PSD_p); destroy_darr2d (PSD_p2); #undef filename #undef xwidth #undef yheight #undef radius #undef restore_xray #undef nowritefile #undef nx #undef ny #undef nr #undef PSD_N #undef PSD_p #undef PSD_p2 #undef xmin #undef xmax #undef ymin #undef ymax return(_comp); } /* class_PSD_monitor_finally */ _class_Divergence_monitor *class_Divergence_monitor_finally(_class_Divergence_monitor *_comp ) { #define nh (_comp->_parameters.nh) #define nv (_comp->_parameters.nv) #define rad (_comp->_parameters.rad) #define filename (_comp->_parameters.filename) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define maxdiv_h (_comp->_parameters.maxdiv_h) #define maxdiv_v (_comp->_parameters.maxdiv_v) #define restore_xray (_comp->_parameters.restore_xray) #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define nz (_comp->_parameters.nz) #define nowritefile (_comp->_parameters.nowritefile) #define Div_N (_comp->_parameters.Div_N) #define Div_p (_comp->_parameters.Div_p) #define Div_p2 (_comp->_parameters.Div_p2) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) SIG_MESSAGE("[_slit3_div_finally] component slit3_div=Divergence_monitor() FINALLY [Divergence_monitor:0]"); destroy_darr2d (Div_N); destroy_darr2d (Div_p); destroy_darr2d (Div_p2); #undef nh #undef nv #undef rad #undef filename #undef xwidth #undef yheight #undef maxdiv_h #undef maxdiv_v #undef restore_xray #undef nx #undef ny #undef nz #undef nowritefile #undef Div_N #undef Div_p #undef Div_p2 #undef xmin #undef xmax #undef ymin #undef ymax return(_comp); } /* class_Divergence_monitor_finally */ _class_Monitor_nD *class_Monitor_nD_finally(_class_Monitor_nD *_comp ) { #define user1 (_comp->_parameters.user1) #define user2 (_comp->_parameters.user2) #define user3 (_comp->_parameters.user3) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define bins (_comp->_parameters.bins) #define min (_comp->_parameters.min) #define max (_comp->_parameters.max) #define restore_xray (_comp->_parameters.restore_xray) #define radius (_comp->_parameters.radius) #define options (_comp->_parameters.options) #define filename (_comp->_parameters.filename) #define geometry (_comp->_parameters.geometry) #define nowritefile (_comp->_parameters.nowritefile) #define username1 (_comp->_parameters.username1) #define username2 (_comp->_parameters.username2) #define username3 (_comp->_parameters.username3) #define DEFS (_comp->_parameters.DEFS) #define Vars (_comp->_parameters.Vars) #define detector (_comp->_parameters.detector) #define offdata (_comp->_parameters.offdata) SIG_MESSAGE("[_EnergyMonitor_before_sample_finally] component EnergyMonitor_before_sample=Monitor_nD() FINALLY [Monitor_nD:0]"); /* free pointers */ Monitor_nD_Finally (&DEFS, &Vars); #undef user1 #undef user2 #undef user3 #undef xwidth #undef yheight #undef zdepth #undef bins #undef min #undef max #undef restore_xray #undef radius #undef options #undef filename #undef geometry #undef nowritefile #undef username1 #undef username2 #undef username3 #undef DEFS #undef Vars #undef detector #undef offdata return(_comp); } /* class_Monitor_nD_finally */ _class_Fluorescence *class_Fluorescence_finally(_class_Fluorescence *_comp ) { #define geometry (_comp->_parameters.geometry) #define radius (_comp->_parameters.radius) #define thickness (_comp->_parameters.thickness) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define concentric (_comp->_parameters.concentric) #define material (_comp->_parameters.material) #define packing_factor (_comp->_parameters.packing_factor) #define rho (_comp->_parameters.rho) #define density (_comp->_parameters.density) #define weight (_comp->_parameters.weight) #define p_interact (_comp->_parameters.p_interact) #define target_x (_comp->_parameters.target_x) #define target_y (_comp->_parameters.target_y) #define target_z (_comp->_parameters.target_z) #define focus_r (_comp->_parameters.focus_r) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define focus_aw (_comp->_parameters.focus_aw) #define focus_ah (_comp->_parameters.focus_ah) #define target_index (_comp->_parameters.target_index) #define flag_compton (_comp->_parameters.flag_compton) #define flag_rayleigh (_comp->_parameters.flag_rayleigh) #define flag_lorentzian (_comp->_parameters.flag_lorentzian) #define flag_kissel (_comp->_parameters.flag_kissel) #define flag_low_z (_comp->_parameters.flag_low_z) #define order (_comp->_parameters.order) #define compound (_comp->_parameters.compound) #define cum_massFractions (_comp->_parameters.cum_massFractions) #define cum_xs_fluo (_comp->_parameters.cum_xs_fluo) #define cum_xs_Compton (_comp->_parameters.cum_xs_Compton) #define cum_xs_Rayleigh (_comp->_parameters.cum_xs_Rayleigh) #define xs_fluo (_comp->_parameters.xs_fluo) #define xs_Compton (_comp->_parameters.xs_Compton) #define xs_Rayleigh (_comp->_parameters.xs_Rayleigh) #define shape (_comp->_parameters.shape) #define offdata (_comp->_parameters.offdata) #define n_fluo (_comp->_parameters.n_fluo) #define n_Compton (_comp->_parameters.n_Compton) #define n_Rayleigh (_comp->_parameters.n_Rayleigh) #define p_fluo (_comp->_parameters.p_fluo) #define p_Compton (_comp->_parameters.p_Compton) #define p_Rayleigh (_comp->_parameters.p_Rayleigh) #define reuse_nb (_comp->_parameters.reuse_nb) #define reuse_intersect (_comp->_parameters.reuse_intersect) #define reuse_ki (_comp->_parameters.reuse_ki) #define reuse_l0 (_comp->_parameters.reuse_l0) #define reuse_l1 (_comp->_parameters.reuse_l1) #define reuse_l2 (_comp->_parameters.reuse_l2) #define reuse_l3 (_comp->_parameters.reuse_l3) #define reuse_sigma_barn (_comp->_parameters.reuse_sigma_barn) #define reuse_cum_xs_fluo (_comp->_parameters.reuse_cum_xs_fluo) #define reuse_cum_xs_Compton (_comp->_parameters.reuse_cum_xs_Compton) #define reuse_cum_xs_Rayleigh (_comp->_parameters.reuse_cum_xs_Rayleigh) #define reuse_xs_fluo (_comp->_parameters.reuse_xs_fluo) #define reuse_xs_Compton (_comp->_parameters.reuse_xs_Compton) #define reuse_xs_Rayleigh (_comp->_parameters.reuse_xs_Rayleigh) SIG_MESSAGE("[_absorption_sample_finally] component absorption_sample=Fluorescence() FINALLY [Fluorescence:0]"); FreeCompoundData(compound); if (n_fluo || n_Compton || n_Rayleigh) MPI_MASTER( printf("INFO: %s: scattered intensity: fluo=%g Compton=%g Rayleigh=%g\n", NAME_CURRENT_COMP, p_fluo, p_Compton, p_Rayleigh); ); #undef geometry #undef radius #undef thickness #undef xwidth #undef yheight #undef zdepth #undef concentric #undef material #undef packing_factor #undef rho #undef density #undef weight #undef p_interact #undef target_x #undef target_y #undef target_z #undef focus_r #undef focus_xw #undef focus_yh #undef focus_aw #undef focus_ah #undef target_index #undef flag_compton #undef flag_rayleigh #undef flag_lorentzian #undef flag_kissel #undef flag_low_z #undef order #undef compound #undef cum_massFractions #undef cum_xs_fluo #undef cum_xs_Compton #undef cum_xs_Rayleigh #undef xs_fluo #undef xs_Compton #undef xs_Rayleigh #undef shape #undef offdata #undef n_fluo #undef n_Compton #undef n_Rayleigh #undef p_fluo #undef p_Compton #undef p_Rayleigh #undef reuse_nb #undef reuse_intersect #undef reuse_ki #undef reuse_l0 #undef reuse_l1 #undef reuse_l2 #undef reuse_l3 #undef reuse_sigma_barn #undef reuse_cum_xs_fluo #undef reuse_cum_xs_Compton #undef reuse_cum_xs_Rayleigh #undef reuse_xs_fluo #undef reuse_xs_Compton #undef reuse_xs_Rayleigh return(_comp); } /* class_Fluorescence_finally */ int finally(void) { /* called by mccode_main for SOLEIL_ROCK:FINALLY */ #pragma acc update host(_Origin_var) #pragma acc update host(_Source_var) #pragma acc update host(_slit1_var) #pragma acc update host(_slit2_var) #pragma acc update host(_mirror_m1_var) #pragma acc update host(_mirror_m1_out_var) #pragma acc update host(_slit3_xy_var) #pragma acc update host(_slit3_div_var) #pragma acc update host(_slit3_var) #pragma acc update host(_mirror_m2a_var) #pragma acc update host(_mirror_m2a_out_var) #pragma acc update host(_slit4_in_var) #pragma acc update host(_slit4_var) #pragma acc update host(_arm_crystal0_var) #pragma acc update host(_bragg_crystal_var) #pragma acc update host(_arm_crystal1_var) #pragma acc update host(_bragg_crystal_two_var) #pragma acc update host(_arm_crystal2_var) #pragma acc update host(_bragg_crystal_out_var) #pragma acc update host(_slit5_var) #pragma acc update host(_slit6_var) #pragma acc update host(_mirror_m2b_var) #pragma acc update host(_mirror_m2b_out_var) #pragma acc update host(_EnergyMonitor_before_sample_var) #pragma acc update host(_e_repartition_after_m2b_var) #pragma acc update host(_sample_in_var) #pragma acc update host(_absorption_sample_var) #pragma acc update host(_fluo_monitor_var) #pragma acc update host(_EnergyMonitor_after_sample_var) #pragma acc update host(_psd_monitor_var) #pragma acc update host(_instrument_var) siminfo_init(NULL); save(siminfo_file); /* save data when simulation ends */ /* Instrument 'SOLEIL_ROCK' FINALLY */ SIG_MESSAGE("[SOLEIL_ROCK] FINALLY [(null):-1]"); #define E0 (instrument->_parameters.E0) #define dE (instrument->_parameters.dE) #define scan (instrument->_parameters.scan) #define angle_m2a_m2b (instrument->_parameters.angle_m2a_m2b) #define angle_m1 (instrument->_parameters.angle_m1) #define sample_file (instrument->_parameters.sample_file) #define reflec_material_M1 (instrument->_parameters.reflec_material_M1) #define reflec_material_M2A_M2B (instrument->_parameters.reflec_material_M2A_M2B) #define cc (instrument->_parameters.cc) { // If there is a scan, calculate the absorption coefficient. if(scan>=1){ #ifdef USE_MPI //MPI_MASTER is equivalent to if(mpi_node_root>=mpi_node_rank){ //statement } //If DETECTOR_OUT_0D is inside of MPI_MASTER the program hangs forever. //If outside it seems to work. Weird. MPI_MASTER( #endif MCDETECTOR e_before_sample = COMP_GETPAR2(EnergyMonitor_before_sample,detector); MCDETECTOR e_after_sample = COMP_GETPAR2(EnergyMonitor_after_sample,detector); absorption_coefficient = log(e_before_sample.intensity/e_after_sample.intensity); I_err_calc = ((e_before_sample.error/e_before_sample.intensity)+(e_after_sample.error/e_after_sample.intensity)); absorption_coefficient_error = I_err_calc; number_events_after_sample = e_after_sample.events; fprintf(stdout,"*** \n"); fprintf(stdout,"Before the sample: I %g I_error %g N %g \n", e_before_sample.intensity, e_before_sample.error, e_before_sample.events); fprintf(stdout,"After the sample: I %g I_error %g N %g \n", e_after_sample.intensity, e_after_sample.error, e_after_sample.events); fprintf(stdout,"I_err_calc: I %g \n", I_err_calc); fprintf(stdout,"*** \n "); #ifdef USE_MPI ); //MPI_Barrier(MPI_COMM_WORLD); #endif // This set of defines is to avoid getting a '.' in the component name #ifdef NAME_CURRENT_COMP #undef NAME_CURRENT_COMP #define NAME_CURRENT_COMP "absorption_coefficient" #endif Coords dummy; Rotation Rot; rot_set_rotation(Rot,0,0,0); mcdetector_out_0D("XANES EXAFS",number_events_after_sample, absorption_coefficient, absorption_coefficient_error,instrument_name,dummy,Rot,9999); } } #undef E0 #undef dE #undef scan #undef angle_m2a_m2b #undef angle_m1 #undef sample_file #undef reflec_material_M1 #undef reflec_material_M2A_M2B #undef cc /* call iteratively all components FINALLY */ class_Progress_bar_finally(&_Origin_var); class_PSD_monitor_finally(&_slit3_xy_var); class_Divergence_monitor_finally(&_slit3_div_var); class_PSD_monitor_finally(&_slit4_in_var); class_PSD_monitor_finally(&_bragg_crystal_out_var); class_Monitor_nD_finally(&_EnergyMonitor_before_sample_var); class_Monitor_nD_finally(&_e_repartition_after_m2b_var); class_PSD_monitor_finally(&_sample_in_var); class_Fluorescence_finally(&_absorption_sample_var); class_Monitor_nD_finally(&_fluo_monitor_var); class_Monitor_nD_finally(&_EnergyMonitor_after_sample_var); class_PSD_monitor_finally(&_psd_monitor_var); siminfo_close(); return(0); } /* finally */ /* ***************************************************************************** * instrument 'SOLEIL_ROCK' and components DISPLAY ***************************************************************************** */ #define magnify mcdis_magnify #define line mcdis_line #define dashed_line mcdis_dashed_line #define multiline mcdis_multiline #define rectangle mcdis_rectangle #define box mcdis_box #define circle mcdis_circle #define cylinder mcdis_cylinder #define sphere mcdis_sphere #define cone mcdis_cone #define polygon mcdis_polygon #define polyhedron mcdis_polyhedron _class_Progress_bar *class_Progress_bar_display(_class_Progress_bar *_comp ) { #define profile (_comp->_parameters.profile) #define percent (_comp->_parameters.percent) #define flag_save (_comp->_parameters.flag_save) #define minutes (_comp->_parameters.minutes) #define IntermediateCnts (_comp->_parameters.IntermediateCnts) #define StartTime (_comp->_parameters.StartTime) #define EndTime (_comp->_parameters.EndTime) #define CurrentTime (_comp->_parameters.CurrentTime) #define infostring (_comp->_parameters.infostring) SIG_MESSAGE("[_Origin_display] component Origin=Progress_bar() DISPLAY [Progress_bar:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); #undef profile #undef percent #undef flag_save #undef minutes #undef IntermediateCnts #undef StartTime #undef EndTime #undef CurrentTime #undef infostring return(_comp); } /* class_Progress_bar_display */ _class_Bending_magnet *class_Bending_magnet_display(_class_Bending_magnet *_comp ) { #define E0 (_comp->_parameters.E0) #define dE (_comp->_parameters.dE) #define lambda0 (_comp->_parameters.lambda0) #define dlambda (_comp->_parameters.dlambda) #define phase (_comp->_parameters.phase) #define randomphase (_comp->_parameters.randomphase) #define Ee (_comp->_parameters.Ee) #define Ie (_comp->_parameters.Ie) #define B (_comp->_parameters.B) #define sigey (_comp->_parameters.sigey) #define sigex (_comp->_parameters.sigex) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define dist (_comp->_parameters.dist) #define gauss_t (_comp->_parameters.gauss_t) #define gamma (_comp->_parameters.gamma) #define gamma2 (_comp->_parameters.gamma2) #define igamma (_comp->_parameters.igamma) #define kc (_comp->_parameters.kc) #define s1x (_comp->_parameters.s1x) #define s1y (_comp->_parameters.s1y) #define p0 (_comp->_parameters.p0) SIG_MESSAGE("[_Source_display] component Source=Bending_magnet() DISPLAY [Bending_magnet:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); double radius, D; radius = 3.3 * Ee / B; ; D = 0.1; double x0, x1, z0, z1; const double phimin = -2.0 * DEG2RAD, phimax = 2.0 * DEG2RAD; double phi = phimin, dphi; dphi = (phimax - phimin) / 32; while (phi < phimax) { x0 = radius * (1 - cos (phi)); x1 = radius * (1 - cos (phi + dphi)); z0 = radius * sin (phi); z1 = radius * sin (phi + dphi); line (x0, 0.0, z0, x1, 0.0, z1); phi += dphi; } line (0.0, 0.0, 0.0, D* sin (igamma), 0.0, D); line (0.0, 0.0, 0.0, -D* sin (igamma), 0.0, D); line (0.0, 0.0, 0.0, 0.0, D* sin (igamma), D); line (0.0, 0.0, 0.0, 0.0, -D* sin (igamma), D); phi = -igamma; dphi = 2.0 * igamma / 32; while (phi < igamma) { x0 = D * sin (phi); x1 = D * sin (phi + dphi); z0 = D * cos (phi); z1 = D * cos (phi + dphi); line (x0, 0.0, z0, x1, 0.0, z1); line (0.0, x0, z0, 0.0, x1, z1); phi += dphi; } #undef E0 #undef dE #undef lambda0 #undef dlambda #undef phase #undef randomphase #undef Ee #undef Ie #undef B #undef sigey #undef sigex #undef focus_xw #undef focus_yh #undef dist #undef gauss_t #undef gamma #undef gamma2 #undef igamma #undef kc #undef s1x #undef s1y #undef p0 return(_comp); } /* class_Bending_magnet_display */ _class_Slit *class_Slit_display(_class_Slit *_comp ) { #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) #define radius (_comp->_parameters.radius) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define dist (_comp->_parameters.dist) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define focus_x0 (_comp->_parameters.focus_x0) #define focus_y0 (_comp->_parameters.focus_y0) SIG_MESSAGE("[_slit1_display] component slit1=Slit() DISPLAY [Slit:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); if (radius == 0) { double xw, yh; xw = (xmax - xmin) / 2.0; yh = (ymax - ymin) / 2.0; multiline (3, xmin - xw, (double)ymax, 0.0, (double)xmin, (double)ymax, 0.0, (double)xmin, ymax + yh, 0.0); multiline (3, xmax + xw, (double)ymax, 0.0, (double)xmax, (double)ymax, 0.0, (double)xmax, ymax + yh, 0.0); multiline (3, xmin - xw, (double)ymin, 0.0, (double)xmin, (double)ymin, 0.0, (double)xmin, ymin - yh, 0.0); multiline (3, xmax + xw, (double)ymin, 0.0, (double)xmax, (double)ymin, 0.0, (double)xmax, ymin - yh, 0.0); } else { circle ("xy", 0, 0, 0, radius); } #undef xmin #undef xmax #undef ymin #undef ymax #undef radius #undef xwidth #undef yheight #undef dist #undef focus_xw #undef focus_yh #undef focus_x0 #undef focus_y0 return(_comp); } /* class_Slit_display */ _class_Mirror_toroid_pothole *class_Mirror_toroid_pothole_display(_class_Mirror_toroid_pothole *_comp ) { #define zdepth (_comp->_parameters.zdepth) #define xwidth (_comp->_parameters.xwidth) #define radius (_comp->_parameters.radius) #define radius_o (_comp->_parameters.radius_o) #define R0 (_comp->_parameters.R0) #define coating (_comp->_parameters.coating) #define prms (_comp->_parameters.prms) #define reflec_table (_comp->_parameters.reflec_table) #define re (_comp->_parameters.re) SIG_MESSAGE("[_mirror_m1_display] component mirror_m1=Mirror_toroid_pothole() DISPLAY [Mirror_toroid_pothole:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); // See parametric equation used for the 3D view here: https://en.wikipedia.org/wiki/Torus#Geometry or here:https://web.maths.unsw.edu.au/~rsw/Torus/index.php // Because the code above doesn't actually reproduce a torus exactly but uses a cylinder and an ellipsoid to construct the toroidal mirror (to avoid solving // quartic equations), there's a slight mismatch between the 3D view (exact torus) and the actual toroidal mirror coded above. double x0, y0, z0, x1, y1, z1, theta, phi, phi_total, theta_total, theta_beginning, phi_beginning, theta_end, phi_end; // int N=50; too many points, makes the 3D matlab viewer bug int N = 10; phi_total = RAD2DEG * (zdepth / (radius + radius_o)); // degrees theta_total = RAD2DEG * (xwidth / radius); // fix theta=0 and phi=180 degrees respectively theta = 0; phi = 180; // then start at the beginning of the theta or phi range in order to map the flat surface (xwidth, zdepth) on the torus. theta_beginning = theta - (theta_total / 2); phi_beginning = phi - (phi_total / 2); theta_end = theta + (theta_total / 2); phi_end = phi + (phi_total / 2); theta = theta_beginning; phi = phi_beginning; while (theta <= theta_end) { phi = 180 - (phi_total / 2); x0 = radius * sin (DEG2RAD * theta); y0 = (radius_o + radius * cos (DEG2RAD * theta)) * cos (DEG2RAD * phi) + (radius_o + radius); z0 = (radius_o + radius * cos (DEG2RAD * theta)) * sin (DEG2RAD * phi); while (phi <= phi_end) { x1 = radius * sin (DEG2RAD * theta); y1 = (radius_o + radius * cos (DEG2RAD * theta)) * cos (DEG2RAD * phi) + (radius_o + radius); z1 = (radius_o + radius * cos (DEG2RAD * theta)) * sin (DEG2RAD * phi); line (x0, y0, z0, x1, y1, z1); x0 = x1; y0 = y1; z0 = z1; phi += phi_total / N; } theta += theta_total / N; } theta = theta_beginning; phi = phi_beginning; while (phi <= phi_end) { theta = -(theta_total / 2); x0 = radius * sin (DEG2RAD * theta); y0 = (radius_o + radius * cos (DEG2RAD * theta)) * cos (DEG2RAD * phi) + (radius_o + radius); z0 = (radius_o + radius * cos (DEG2RAD * theta)) * sin (DEG2RAD * phi); while (theta <= theta_end) { x1 = radius * sin (DEG2RAD * theta); y1 = (radius_o + radius * cos (DEG2RAD * theta)) * cos (DEG2RAD * phi) + (radius_o + radius); z1 = (radius_o + radius * cos (DEG2RAD * theta)) * sin (DEG2RAD * phi); line (x0, y0, z0, x1, y1, z1); x0 = x1; y0 = y1; z0 = z1; theta += theta_total / N; } phi += phi_total / N; } #undef zdepth #undef xwidth #undef radius #undef radius_o #undef R0 #undef coating #undef prms #undef reflec_table #undef re return(_comp); } /* class_Mirror_toroid_pothole_display */ _class_Arm *class_Arm_display(_class_Arm *_comp ) { SIG_MESSAGE("[_mirror_m1_out_display] component mirror_m1_out=Arm() DISPLAY [Arm:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); /* A bit ugly; hard-coded dimensions. */ line (0, 0, 0, 0.2, 0, 0); line (0, 0, 0, 0, 0.2, 0); line (0, 0, 0, 0, 0, 0.2); cone (0.2, 0, 0, 0.01, 0.02, 1, 0, 0); cone (0, 0.2, 0, 0.01, 0.02, 0, 1, 0); cone (0, 0, 0.2, 0.01, 0.02, 0, 0, 1); return(_comp); } /* class_Arm_display */ _class_PSD_monitor *class_PSD_monitor_display(_class_PSD_monitor *_comp ) { #define filename (_comp->_parameters.filename) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define radius (_comp->_parameters.radius) #define restore_xray (_comp->_parameters.restore_xray) #define nowritefile (_comp->_parameters.nowritefile) #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define nr (_comp->_parameters.nr) #define PSD_N (_comp->_parameters.PSD_N) #define PSD_p (_comp->_parameters.PSD_p) #define PSD_p2 (_comp->_parameters.PSD_p2) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) SIG_MESSAGE("[_slit3_xy_display] component slit3_xy=PSD_monitor() DISPLAY [PSD_monitor:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); multiline (5, (double)xmin, (double)ymin, 0.0, (double)xmax, (double)ymin, 0.0, (double)xmax, (double)ymax, 0.0, (double)xmin, (double)ymax, 0.0, (double)xmin, (double)ymin, 0.0); #undef filename #undef xwidth #undef yheight #undef radius #undef restore_xray #undef nowritefile #undef nx #undef ny #undef nr #undef PSD_N #undef PSD_p #undef PSD_p2 #undef xmin #undef xmax #undef ymin #undef ymax return(_comp); } /* class_PSD_monitor_display */ _class_Divergence_monitor *class_Divergence_monitor_display(_class_Divergence_monitor *_comp ) { #define nh (_comp->_parameters.nh) #define nv (_comp->_parameters.nv) #define rad (_comp->_parameters.rad) #define filename (_comp->_parameters.filename) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define maxdiv_h (_comp->_parameters.maxdiv_h) #define maxdiv_v (_comp->_parameters.maxdiv_v) #define restore_xray (_comp->_parameters.restore_xray) #define nx (_comp->_parameters.nx) #define ny (_comp->_parameters.ny) #define nz (_comp->_parameters.nz) #define nowritefile (_comp->_parameters.nowritefile) #define Div_N (_comp->_parameters.Div_N) #define Div_p (_comp->_parameters.Div_p) #define Div_p2 (_comp->_parameters.Div_p2) #define xmin (_comp->_parameters.xmin) #define xmax (_comp->_parameters.xmax) #define ymin (_comp->_parameters.ymin) #define ymax (_comp->_parameters.ymax) SIG_MESSAGE("[_slit3_div_display] component slit3_div=Divergence_monitor() DISPLAY [Divergence_monitor:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); multiline (5, (double)xmin, (double)ymin, 0.0, (double)xmax, (double)ymin, 0.0, (double)xmax, (double)ymax, 0.0, (double)xmin, (double)ymax, 0.0, (double)xmin, (double)ymin, 0.0); #undef nh #undef nv #undef rad #undef filename #undef xwidth #undef yheight #undef maxdiv_h #undef maxdiv_v #undef restore_xray #undef nx #undef ny #undef nz #undef nowritefile #undef Div_N #undef Div_p #undef Div_p2 #undef xmin #undef xmax #undef ymin #undef ymax return(_comp); } /* class_Divergence_monitor_display */ _class_Mirror *class_Mirror_display(_class_Mirror *_comp ) { #define zdepth (_comp->_parameters.zdepth) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define coating (_comp->_parameters.coating) #define R0 (_comp->_parameters.R0) #define geometry (_comp->_parameters.geometry) #define re (_comp->_parameters.re) #define offdata (_comp->_parameters.offdata) #define shape (_comp->_parameters.shape) SIG_MESSAGE("[_mirror_m2a_display] component mirror_m2a=Mirror() DISPLAY [Mirror:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); /* A bit ugly; hard-coded dimensions. */ magnify (""); if (shape == ANY) { /* OFF file */ off_display (offdata); } else if (yheight) { line (0, -yheight / 2.0, -zdepth / 2.0, 0, yheight / 2.0, -zdepth / 2.0); line (0, -yheight / 2.0, zdepth / 2.0, 0, yheight / 2.0, zdepth / 2.0); line (0, -yheight / 2.0, -zdepth / 2.0, 0, -yheight / 2.0, zdepth / 2.0); line (0, yheight / 2.0, -zdepth / 2.0, 0, yheight / 2.0, zdepth / 2.0); } else { line (-xwidth / 2.0, 0, -zdepth / 2.0, xwidth / 2.0, 0, -zdepth / 2.0); line (-xwidth / 2.0, 0, zdepth / 2.0, xwidth / 2.0, 0, zdepth / 2.0); line (-xwidth / 2.0, 0, -zdepth / 2.0, -xwidth / 2.0, 0, zdepth / 2.0); line (xwidth / 2.0, 0, -zdepth / 2.0, xwidth / 2.0, 0, zdepth / 2.0); } #undef zdepth #undef xwidth #undef yheight #undef coating #undef R0 #undef geometry #undef re #undef offdata #undef shape return(_comp); } /* class_Mirror_display */ _class_Bragg_crystal *class_Bragg_crystal_display(_class_Bragg_crystal *_comp ) { #define length (_comp->_parameters.length) #define width (_comp->_parameters.width) #define V (_comp->_parameters.V) #define form_factors (_comp->_parameters.form_factors) #define material (_comp->_parameters.material) #define alpha (_comp->_parameters.alpha) #define R0 (_comp->_parameters.R0) #define debye_waller_B (_comp->_parameters.debye_waller_B) #define crystal_type (_comp->_parameters.crystal_type) #define h (_comp->_parameters.h) #define k (_comp->_parameters.k) #define l (_comp->_parameters.l) #define structure_factor_scale_r (_comp->_parameters.structure_factor_scale_r) #define structure_factor_scale_i (_comp->_parameters.structure_factor_scale_i) #define Z (_comp->_parameters.Z) #define rho (_comp->_parameters.rho) #define At (_comp->_parameters.At) #define f_rel (_comp->_parameters.f_rel) #define f_nt (_comp->_parameters.f_nt) #define m_t (_comp->_parameters.m_t) #define f0_t (_comp->_parameters.f0_t) SIG_MESSAGE("[_bragg_crystal_display] component bragg_crystal=Bragg_crystal() DISPLAY [Bragg_crystal:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); rectangle ("xz", 0, 0, 0, width, length); #undef length #undef width #undef V #undef form_factors #undef material #undef alpha #undef R0 #undef debye_waller_B #undef crystal_type #undef h #undef k #undef l #undef structure_factor_scale_r #undef structure_factor_scale_i #undef Z #undef rho #undef At #undef f_rel #undef f_nt #undef m_t #undef f0_t return(_comp); } /* class_Bragg_crystal_display */ _class_Mirror_curved *class_Mirror_curved_display(_class_Mirror_curved *_comp ) { #define radius (_comp->_parameters.radius) #define R0 (_comp->_parameters.R0) #define coating (_comp->_parameters.coating) #define zdepth (_comp->_parameters.zdepth) #define yheight (_comp->_parameters.yheight) #define length (_comp->_parameters.length) #define width (_comp->_parameters.width) #define Z (_comp->_parameters.Z) #define At (_comp->_parameters.At) #define rho (_comp->_parameters.rho) #define T (_comp->_parameters.T) #define re (_comp->_parameters.re) SIG_MESSAGE("[_mirror_m2b_display] component mirror_m2b=Mirror_curved() DISPLAY [Mirror_curved:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); double x0, y0, z0, x1, y1, z1, alpha; int N = 20; y0 = yheight / 2.0; y1 = -y0; alpha = -(zdepth / 2.0) / fabs (radius); x0 = radius * (1 - cos (alpha)); z0 = radius * sin (alpha); line (x0, y0, z0, x0, y1, z0); while (alpha < (zdepth / 2.0 / fabs (radius))) { alpha += zdepth / N / fabs (radius); x1 = radius * (1 - cos (alpha)); z1 = radius * sin (alpha); line (x0, y0, z0, x1, y0, z1); line (x0, y1, z0, x1, y1, z1); x0 = x1; z0 = z1; line (x0, y0, z0, x0, y1, z0); } #undef radius #undef R0 #undef coating #undef zdepth #undef yheight #undef length #undef width #undef Z #undef At #undef rho #undef T #undef re return(_comp); } /* class_Mirror_curved_display */ _class_Monitor_nD *class_Monitor_nD_display(_class_Monitor_nD *_comp ) { #define user1 (_comp->_parameters.user1) #define user2 (_comp->_parameters.user2) #define user3 (_comp->_parameters.user3) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define bins (_comp->_parameters.bins) #define min (_comp->_parameters.min) #define max (_comp->_parameters.max) #define restore_xray (_comp->_parameters.restore_xray) #define radius (_comp->_parameters.radius) #define options (_comp->_parameters.options) #define filename (_comp->_parameters.filename) #define geometry (_comp->_parameters.geometry) #define nowritefile (_comp->_parameters.nowritefile) #define username1 (_comp->_parameters.username1) #define username2 (_comp->_parameters.username2) #define username3 (_comp->_parameters.username3) #define DEFS (_comp->_parameters.DEFS) #define Vars (_comp->_parameters.Vars) #define detector (_comp->_parameters.detector) #define offdata (_comp->_parameters.offdata) SIG_MESSAGE("[_EnergyMonitor_before_sample_display] component EnergyMonitor_before_sample=Monitor_nD() DISPLAY [Monitor_nD:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); if (geometry && strlen (geometry) && strcmp (geometry, "0") && strcmp (geometry, "NULL")) { off_display (offdata); } else { Monitor_nD_McDisplay (&DEFS, &Vars); } #undef user1 #undef user2 #undef user3 #undef xwidth #undef yheight #undef zdepth #undef bins #undef min #undef max #undef restore_xray #undef radius #undef options #undef filename #undef geometry #undef nowritefile #undef username1 #undef username2 #undef username3 #undef DEFS #undef Vars #undef detector #undef offdata return(_comp); } /* class_Monitor_nD_display */ _class_Fluorescence *class_Fluorescence_display(_class_Fluorescence *_comp ) { #define geometry (_comp->_parameters.geometry) #define radius (_comp->_parameters.radius) #define thickness (_comp->_parameters.thickness) #define xwidth (_comp->_parameters.xwidth) #define yheight (_comp->_parameters.yheight) #define zdepth (_comp->_parameters.zdepth) #define concentric (_comp->_parameters.concentric) #define material (_comp->_parameters.material) #define packing_factor (_comp->_parameters.packing_factor) #define rho (_comp->_parameters.rho) #define density (_comp->_parameters.density) #define weight (_comp->_parameters.weight) #define p_interact (_comp->_parameters.p_interact) #define target_x (_comp->_parameters.target_x) #define target_y (_comp->_parameters.target_y) #define target_z (_comp->_parameters.target_z) #define focus_r (_comp->_parameters.focus_r) #define focus_xw (_comp->_parameters.focus_xw) #define focus_yh (_comp->_parameters.focus_yh) #define focus_aw (_comp->_parameters.focus_aw) #define focus_ah (_comp->_parameters.focus_ah) #define target_index (_comp->_parameters.target_index) #define flag_compton (_comp->_parameters.flag_compton) #define flag_rayleigh (_comp->_parameters.flag_rayleigh) #define flag_lorentzian (_comp->_parameters.flag_lorentzian) #define flag_kissel (_comp->_parameters.flag_kissel) #define flag_low_z (_comp->_parameters.flag_low_z) #define order (_comp->_parameters.order) #define compound (_comp->_parameters.compound) #define cum_massFractions (_comp->_parameters.cum_massFractions) #define cum_xs_fluo (_comp->_parameters.cum_xs_fluo) #define cum_xs_Compton (_comp->_parameters.cum_xs_Compton) #define cum_xs_Rayleigh (_comp->_parameters.cum_xs_Rayleigh) #define xs_fluo (_comp->_parameters.xs_fluo) #define xs_Compton (_comp->_parameters.xs_Compton) #define xs_Rayleigh (_comp->_parameters.xs_Rayleigh) #define shape (_comp->_parameters.shape) #define offdata (_comp->_parameters.offdata) #define n_fluo (_comp->_parameters.n_fluo) #define n_Compton (_comp->_parameters.n_Compton) #define n_Rayleigh (_comp->_parameters.n_Rayleigh) #define p_fluo (_comp->_parameters.p_fluo) #define p_Compton (_comp->_parameters.p_Compton) #define p_Rayleigh (_comp->_parameters.p_Rayleigh) #define reuse_nb (_comp->_parameters.reuse_nb) #define reuse_intersect (_comp->_parameters.reuse_intersect) #define reuse_ki (_comp->_parameters.reuse_ki) #define reuse_l0 (_comp->_parameters.reuse_l0) #define reuse_l1 (_comp->_parameters.reuse_l1) #define reuse_l2 (_comp->_parameters.reuse_l2) #define reuse_l3 (_comp->_parameters.reuse_l3) #define reuse_sigma_barn (_comp->_parameters.reuse_sigma_barn) #define reuse_cum_xs_fluo (_comp->_parameters.reuse_cum_xs_fluo) #define reuse_cum_xs_Compton (_comp->_parameters.reuse_cum_xs_Compton) #define reuse_cum_xs_Rayleigh (_comp->_parameters.reuse_cum_xs_Rayleigh) #define reuse_xs_fluo (_comp->_parameters.reuse_xs_fluo) #define reuse_xs_Compton (_comp->_parameters.reuse_xs_Compton) #define reuse_xs_Rayleigh (_comp->_parameters.reuse_xs_Rayleigh) SIG_MESSAGE("[_absorption_sample_display] component absorption_sample=Fluorescence() DISPLAY [Fluorescence:0]"); printf("MCDISPLAY: component %s\n", _comp->_name); if (shape == 0) { /* cyl */ circle("xz", 0, yheight/2.0, 0, radius); circle("xz", 0, -yheight/2.0, 0, radius); line(-radius, -yheight/2.0, 0, -radius, +yheight/2.0, 0); line(+radius, -yheight/2.0, 0, +radius, +yheight/2.0, 0); line(0, -yheight/2.0, -radius, 0, +yheight/2.0, -radius); line(0, -yheight/2.0, +radius, 0, +yheight/2.0, +radius); if (thickness) { double radius_i=radius-thickness; circle("xz", 0, yheight/2.0, 0, radius_i); circle("xz", 0, -yheight/2.0, 0, radius_i); line(-radius_i, -yheight/2.0, 0, -radius_i, +yheight/2.0, 0); line(+radius_i, -yheight/2.0, 0, +radius_i, +yheight/2.0, 0); line(0, -yheight/2.0, -radius_i, 0, +yheight/2.0, -radius_i); line(0, -yheight/2.0, +radius_i, 0, +yheight/2.0, +radius_i); } } else if (shape == 1) { /* box */ double xmin = -0.5*xwidth; double xmax = 0.5*xwidth; double ymin = -0.5*yheight; double ymax = 0.5*yheight; double zmin = -0.5*zdepth; double zmax = 0.5*zdepth; multiline(5, xmin, ymin, zmin, xmax, ymin, zmin, xmax, ymax, zmin, xmin, ymax, zmin, xmin, ymin, zmin); multiline(5, xmin, ymin, zmax, xmax, ymin, zmax, xmax, ymax, zmax, xmin, ymax, zmax, xmin, ymin, zmax); line(xmin, ymin, zmin, xmin, ymin, zmax); line(xmax, ymin, zmin, xmax, ymin, zmax); line(xmin, ymax, zmin, xmin, ymax, zmax); line(xmax, ymax, zmin, xmax, ymax, zmax); if (zdepth) { xmin = -0.5*xwidth; xmax = 0.5*xwidth; ymin = -0.5*yheight; ymax = 0.5*yheight; zmin = -0.5*zdepth; zmax = 0.5*zdepth; multiline(5, xmin, ymin, zmin, xmax, ymin, zmin, xmax, ymax, zmin, xmin, ymax, zmin, xmin, ymin, zmin); multiline(5, xmin, ymin, zmax, xmax, ymin, zmax, xmax, ymax, zmax, xmin, ymax, zmax, xmin, ymin, zmax); line(xmin, ymin, zmin, xmin, ymin, zmax); line(xmax, ymin, zmin, xmax, ymin, zmax); line(xmin, ymax, zmin, xmin, ymax, zmax); line(xmax, ymax, zmin, xmax, ymax, zmax); } } if (shape == 2) { /* sphere */ circle("xy",0,0,0,radius); circle("xz",0,0,0,radius); circle("yz",0,0,0,radius); } else if (shape == 3) { /* OFF file */ off_display(offdata); } #undef geometry #undef radius #undef thickness #undef xwidth #undef yheight #undef zdepth #undef concentric #undef material #undef packing_factor #undef rho #undef density #undef weight #undef p_interact #undef target_x #undef target_y #undef target_z #undef focus_r #undef focus_xw #undef focus_yh #undef focus_aw #undef focus_ah #undef target_index #undef flag_compton #undef flag_rayleigh #undef flag_lorentzian #undef flag_kissel #undef flag_low_z #undef order #undef compound #undef cum_massFractions #undef cum_xs_fluo #undef cum_xs_Compton #undef cum_xs_Rayleigh #undef xs_fluo #undef xs_Compton #undef xs_Rayleigh #undef shape #undef offdata #undef n_fluo #undef n_Compton #undef n_Rayleigh #undef p_fluo #undef p_Compton #undef p_Rayleigh #undef reuse_nb #undef reuse_intersect #undef reuse_ki #undef reuse_l0 #undef reuse_l1 #undef reuse_l2 #undef reuse_l3 #undef reuse_sigma_barn #undef reuse_cum_xs_fluo #undef reuse_cum_xs_Compton #undef reuse_cum_xs_Rayleigh #undef reuse_xs_fluo #undef reuse_xs_Compton #undef reuse_xs_Rayleigh return(_comp); } /* class_Fluorescence_display */ #undef magnify #undef line #undef dashed_line #undef multiline #undef rectangle #undef box #undef circle #undef cylinder #undef sphere int display(void) { /* called by mccode_main for SOLEIL_ROCK:DISPLAY */ printf("MCDISPLAY: start\n"); /* call iteratively all components DISPLAY */ class_Progress_bar_display(&_Origin_var); class_Bending_magnet_display(&_Source_var); class_Slit_display(&_slit1_var); class_Slit_display(&_slit2_var); class_Mirror_toroid_pothole_display(&_mirror_m1_var); class_Arm_display(&_mirror_m1_out_var); class_PSD_monitor_display(&_slit3_xy_var); class_Divergence_monitor_display(&_slit3_div_var); class_Slit_display(&_slit3_var); class_Mirror_display(&_mirror_m2a_var); class_Arm_display(&_mirror_m2a_out_var); class_PSD_monitor_display(&_slit4_in_var); class_Slit_display(&_slit4_var); class_Arm_display(&_arm_crystal0_var); class_Bragg_crystal_display(&_bragg_crystal_var); class_Arm_display(&_arm_crystal1_var); class_Bragg_crystal_display(&_bragg_crystal_two_var); class_Arm_display(&_arm_crystal2_var); class_PSD_monitor_display(&_bragg_crystal_out_var); class_Slit_display(&_slit5_var); class_Slit_display(&_slit6_var); class_Mirror_curved_display(&_mirror_m2b_var); class_Arm_display(&_mirror_m2b_out_var); class_Monitor_nD_display(&_EnergyMonitor_before_sample_var); class_Monitor_nD_display(&_e_repartition_after_m2b_var); class_PSD_monitor_display(&_sample_in_var); class_Fluorescence_display(&_absorption_sample_var); class_Monitor_nD_display(&_fluo_monitor_var); class_Monitor_nD_display(&_EnergyMonitor_after_sample_var); class_PSD_monitor_display(&_psd_monitor_var); printf("MCDISPLAY: end\n"); return(0); } /* display */ void* _getvar_parameters(char* compname) /* enables settings parameters based use of the GETPAR macro */ { #ifdef OPENACC #define strcmp(a,b) str_comp(a,b) #endif if (!strcmp(compname, "Origin")) return (void *) &(_Origin_var._parameters); if (!strcmp(compname, "Source")) return (void *) &(_Source_var._parameters); if (!strcmp(compname, "slit1")) return (void *) &(_slit1_var._parameters); if (!strcmp(compname, "slit2")) return (void *) &(_slit2_var._parameters); if (!strcmp(compname, "mirror_m1")) return (void *) &(_mirror_m1_var._parameters); if (!strcmp(compname, "mirror_m1_out")) return (void *) &(_mirror_m1_out_var._parameters); if (!strcmp(compname, "slit3_xy")) return (void *) &(_slit3_xy_var._parameters); if (!strcmp(compname, "slit3_div")) return (void *) &(_slit3_div_var._parameters); if (!strcmp(compname, "slit3")) return (void *) &(_slit3_var._parameters); if (!strcmp(compname, "mirror_m2a")) return (void *) &(_mirror_m2a_var._parameters); if (!strcmp(compname, "mirror_m2a_out")) return (void *) &(_mirror_m2a_out_var._parameters); if (!strcmp(compname, "slit4_in")) return (void *) &(_slit4_in_var._parameters); if (!strcmp(compname, "slit4")) return (void *) &(_slit4_var._parameters); if (!strcmp(compname, "arm_crystal0")) return (void *) &(_arm_crystal0_var._parameters); if (!strcmp(compname, "bragg_crystal")) return (void *) &(_bragg_crystal_var._parameters); if (!strcmp(compname, "arm_crystal1")) return (void *) &(_arm_crystal1_var._parameters); if (!strcmp(compname, "bragg_crystal_two")) return (void *) &(_bragg_crystal_two_var._parameters); if (!strcmp(compname, "arm_crystal2")) return (void *) &(_arm_crystal2_var._parameters); if (!strcmp(compname, "bragg_crystal_out")) return (void *) &(_bragg_crystal_out_var._parameters); if (!strcmp(compname, "slit5")) return (void *) &(_slit5_var._parameters); if (!strcmp(compname, "slit6")) return (void *) &(_slit6_var._parameters); if (!strcmp(compname, "mirror_m2b")) return (void *) &(_mirror_m2b_var._parameters); if (!strcmp(compname, "mirror_m2b_out")) return (void *) &(_mirror_m2b_out_var._parameters); if (!strcmp(compname, "EnergyMonitor_before_sample")) return (void *) &(_EnergyMonitor_before_sample_var._parameters); if (!strcmp(compname, "e_repartition_after_m2b")) return (void *) &(_e_repartition_after_m2b_var._parameters); if (!strcmp(compname, "sample_in")) return (void *) &(_sample_in_var._parameters); if (!strcmp(compname, "absorption_sample")) return (void *) &(_absorption_sample_var._parameters); if (!strcmp(compname, "fluo_monitor")) return (void *) &(_fluo_monitor_var._parameters); if (!strcmp(compname, "EnergyMonitor_after_sample")) return (void *) &(_EnergyMonitor_after_sample_var._parameters); if (!strcmp(compname, "psd_monitor")) return (void *) &(_psd_monitor_var._parameters); return 0; } void* _get_particle_var(char *token, _class_particle *p) /* enables setpars based use of GET_PARTICLE_DVAR macro and similar */ { return 0; } int _getcomp_index(char* compname) /* Enables retrieving the component position & rotation when the index is not known. * Component indexing into MACROS, e.g., POS_A_COMP_INDEX, are 1-based! */ { if (!strcmp(compname, "Origin")) return 1; if (!strcmp(compname, "Source")) return 2; if (!strcmp(compname, "slit1")) return 3; if (!strcmp(compname, "slit2")) return 4; if (!strcmp(compname, "mirror_m1")) return 5; if (!strcmp(compname, "mirror_m1_out")) return 6; if (!strcmp(compname, "slit3_xy")) return 7; if (!strcmp(compname, "slit3_div")) return 8; if (!strcmp(compname, "slit3")) return 9; if (!strcmp(compname, "mirror_m2a")) return 10; if (!strcmp(compname, "mirror_m2a_out")) return 11; if (!strcmp(compname, "slit4_in")) return 12; if (!strcmp(compname, "slit4")) return 13; if (!strcmp(compname, "arm_crystal0")) return 14; if (!strcmp(compname, "bragg_crystal")) return 15; if (!strcmp(compname, "arm_crystal1")) return 16; if (!strcmp(compname, "bragg_crystal_two")) return 17; if (!strcmp(compname, "arm_crystal2")) return 18; if (!strcmp(compname, "bragg_crystal_out")) return 19; if (!strcmp(compname, "slit5")) return 20; if (!strcmp(compname, "slit6")) return 21; if (!strcmp(compname, "mirror_m2b")) return 22; if (!strcmp(compname, "mirror_m2b_out")) return 23; if (!strcmp(compname, "EnergyMonitor_before_sample")) return 24; if (!strcmp(compname, "e_repartition_after_m2b")) return 25; if (!strcmp(compname, "sample_in")) return 26; if (!strcmp(compname, "absorption_sample")) return 27; if (!strcmp(compname, "fluo_monitor")) return 28; if (!strcmp(compname, "EnergyMonitor_after_sample")) return 29; if (!strcmp(compname, "psd_monitor")) return 30; return -1; } /* embedding file "metadata-r.c" */ /** --- Contents of metadata-r.c ---------------------------------------------------------------------------------- */ // Created by Gregory Tucker, Data Management Software Centre, European Spallation Source ERIC on 07/07/23. #ifndef MCCODE_NAME #include "metadata-r.h" #endif char * metadata_table_key_component(char* key){ if (strlen(key) == 0) return NULL; char sep[2] = ":\0"; // matches any number of repeated colons // look for the separator in the provided key; strtok is allowed to modify the string, so copy it char * tok = malloc((strlen(key) + 1) * sizeof(char)); if (!tok) { fprintf(stderr,"Error allocating token\n"); exit(-1); } strcpy(tok, key); char * pch = strtok(tok, sep); // this *is* the component name (if provided) -- but we need to move the pointer char * comp = malloc((1 + strlen(pch)) * sizeof(char)); if (!comp) { fprintf(stderr,"Error allocating comp\n"); exit(-1); } strcpy(comp, pch); if (tok) free(tok); return comp; } char * metadata_table_key_literal(char * key){ if (strlen(key) == 0) return NULL; char sep[3] = ":\0"; char * tok = malloc((strlen(key) + 1 ) * sizeof(char)); if (!tok) { fprintf(stderr,"Error allocating token\n"); exit(-1); } strcpy(tok, key); char * pch = strtok(tok, sep); // this *is* the component name (if provided) if (pch) pch = strtok(NULL, sep); // either NULL or the literal name char * name = NULL; if (pch) { name = malloc((1 + strlen(pch)) * sizeof(char)); if (!name) { fprintf(stderr,"Error allocating name\n"); exit(-1); } strcpy(name, pch); } if (tok) free(tok); return name; } int metadata_table_defined(int no, metadata_table_t * tab, char * key){ if (strlen(key) == 0){ /* This is 0 instead of `no` independent of any wildcard-matching logic * because a caller _already_ knows `no` and can verify * that `key` is not "" at call-time. So returning `no` is useless. */ return 0; } char * comp = metadata_table_key_component(key); char * name = metadata_table_key_literal(key); // look through the table for the matching component and literal names int number = 0; for (int i=0; i 1) { MPI_MASTER( printf("Simulation '%s' (%s): running on %i nodes (master is '%s', MPI version %i.%i).\n", instrument_name, instrument_source, mpi_node_count, mpi_node_name, MPI_VERSION, MPI_SUBVERSION); ); /* share the same seed, then adapt random seed for each node */ MPI_Bcast(&mcseed, 1, MPI_LONG, 0, MPI_COMM_WORLD); /* root sends its seed to slaves */ mcseed += mpi_node_rank; /* make sure we use different seeds per noe */ } #endif /* USE_MPI */ #ifdef OPENACC #ifdef USE_MPI int num_devices = acc_get_num_devices(acc_device_nvidia); if(num_devices>0){ int my_device = mpi_node_rank % num_devices; acc_set_device_num( my_device, acc_device_nvidia ); printf("Have found %d GPU devices on rank %d. Will use device %d.\n", num_devices, mpi_node_rank, my_device); }else{ printf("There was an issue probing acc_get_num_devices, fallback to host\n"); acc_set_device_type( acc_device_host ); } #endif #endif /* *** parse options ******************************************************* */ SIG_MESSAGE("[" __FILE__ "] main START"); mcformat = getenv(FLAVOR_UPPER "_FORMAT") ? getenv(FLAVOR_UPPER "_FORMAT") : FLAVOR_UPPER; instrument_exe = argv[0]; /* store the executable path */ /* read simulation parameters and options */ mcparseoptions(argc, argv); /* sets output dir and format */ #ifdef USE_MPI if (mpi_node_count > 1) { /* share the same seed, then adapt random seed for each node */ MPI_Bcast(&mcseed, 1, MPI_LONG, 0, MPI_COMM_WORLD); /* root sends its seed to slaves */ mcseed += mpi_node_rank; /* make sure we use different seeds per node */ } #endif /* *** install sig handler, but only once !! after parameters parsing ******* */ #ifndef NOSIGNALS #ifdef SIGQUIT if (signal( SIGQUIT ,sighandler) == SIG_IGN) signal( SIGQUIT,SIG_IGN); /* quit (ASCII FS) */ #endif #ifdef SIGABRT if (signal( SIGABRT ,sighandler) == SIG_IGN) signal( SIGABRT,SIG_IGN); /* used by abort, replace SIGIOT in the future */ #endif #ifdef SIGTERM if (signal( SIGTERM ,sighandler) == SIG_IGN) signal( SIGTERM,SIG_IGN); /* software termination signal from kill */ #endif #ifdef SIGUSR1 if (signal( SIGUSR1 ,sighandler) == SIG_IGN) signal( SIGUSR1,SIG_IGN); /* display simulation status */ #endif #ifdef SIGUSR2 if (signal( SIGUSR2 ,sighandler) == SIG_IGN) signal( SIGUSR2,SIG_IGN); #endif #ifdef SIGHUP if (signal( SIGHUP ,sighandler) == SIG_IGN) signal( SIGHUP,SIG_IGN); #endif #ifdef SIGILL if (signal( SIGILL ,sighandler) == SIG_IGN) signal( SIGILL,SIG_IGN); /* illegal instruction (not reset when caught) */ #endif #ifdef SIGFPE if (signal( SIGFPE ,sighandler) == SIG_IGN) signal( SIGSEGV,SIG_IGN); /* floating point exception */ #endif #ifdef SIGBUS if (signal( SIGBUS ,sighandler) == SIG_IGN) signal( SIGSEGV,SIG_IGN); /* bus error */ #endif #ifdef SIGSEGV if (signal( SIGSEGV ,sighandler) == SIG_IGN) signal( SIGSEGV,SIG_IGN); /* segmentation violation */ #endif #endif /* !NOSIGNALS */ // init executed by master/host siminfo_init(NULL); /* open SIM */ SIG_MESSAGE("[" __FILE__ "] main INITIALISE"); init(); #ifndef NOSIGNALS #ifdef SIGINT if (signal( SIGINT ,sighandler) == SIG_IGN) signal( SIGINT,SIG_IGN); /* interrupt (rubout) only after INIT */ #endif #endif /* !NOSIGNALS */ /* ================ main particle generation/propagation loop ================ */ #ifdef USE_MPI /* sliced Ncount on each MPI node */ mcncount = mpi_node_count > 1 ? floor(mcncount / mpi_node_count) : mcncount; /* number of rays per node */ #endif // MT specific init, note that per-ray init is empty #if RNG_ALG == 2 mt_srandom(mcseed); #endif // main raytrace work loop #ifndef FUNNEL // legacy version raytrace_all(mcncount, mcseed); #else MPI_MASTER( // "funneled" version in which propagation is more parallelizable printf("\nNOTE: CPU COMPONENT grammar activated:\n 1) \"FUNNEL\" raytrace algorithm enabled.\n 2) Any SPLIT's are dynamically allocated based on available buffer size. \n"); ); raytrace_all_funnel(mcncount, mcseed); #endif #ifdef USE_MPI /* merge run_num from MPI nodes */ if (mpi_node_count > 1) { double mcrun_num_double = (double)mcrun_num; mc_MPI_Sum(&mcrun_num_double, 1); mcrun_num = (unsigned long long)mcrun_num_double; } #endif // save/finally executed by master node/thread/host finally(); #ifdef USE_MPI MPI_Finalize(); #endif /* USE_MPI */ return 0; } /* mccode_main */ /* End of file "mccode_main.c". */ /* end of generated C code ./SOLEIL_ROCK.c */