/* Automatically generated file. Do not edit. * Format: ANSI C source code * Creator: McStas * Instrument: /Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.instr (test) * Date: Mon May 30 10:19:08 2016 * File: /Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c * Compile: cc -o test.out /Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c * CFLAGS= */ #define MCCODE_STRING "McStas 2.4rc0 - May. 09, 2016" #define FLAVOR "mcstas" #define FLAVOR_UPPER "MCSTAS" #define MC_USE_DEFAULT_MAIN #define MC_TRACE_ENABLED #define MC_EMBEDDED_RUNTIME #line 1 "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: McStas 2.4rc0 * 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 mcnumipar; * char mcinstrument_name[], mcinstrument_source[]; * int mctraceenabled, mcdefaultmain; * 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 #include #include #include /* If the runtime is embedded in the simulation program, some definitions can be made static. */ #ifdef MC_EMBEDDED_RUNTIME #define mcstatic static #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 #ifdef NEED_STAT_H #include #endif #ifndef MC_PATHSEP_C #ifdef 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 */ /* the version string is replaced when building distribution with mkdist */ #ifndef MCCODE_STRING #define MCCODE_STRING "McStas 2.4rc0 - May. 09, 2016" #endif #ifndef MCCODE_DATE #define MCCODE_DATE "May. 09, 2016" #endif #ifndef MCCODE_VERSION #define MCCODE_VERSION "2.4rc0" #endif #ifndef MCCODE_NAME #define MCCODE_NAME "McStas" #endif #ifndef MCCODE_PARTICLE #define MCCODE_PARTICLE "neutron" #endif #ifndef MCCODE_LIBENV #define MCCODE_LIBENV "MCSTAS" #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 #if (NOSIGNALS == 0) #undef NOSIGNALS #endif /* 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_double, instr_type_int, instr_type_string }; 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 */ }; typedef double MCNUM; typedef struct {MCNUM x, y, z;} Coords; typedef MCNUM Rotation[3][3]; /* 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 mcnumipar; /* number of instrument parameters */ extern char mcinstrument_name[], mcinstrument_source[]; /* instrument name and filename */ extern char *mcinstrument_exe; /* executable path = argv[0] or NULL */ extern MCNUM mccomp_storein[]; /* 11 coords * number of components in instrument */ extern MCNUM mcAbsorbProp[]; extern MCNUM mcScattered; /* number of SCATTER calls in current component */ extern MCNUM mcRestore; /* Flag to indicate if neutron needs to be restored */ #ifndef MC_ANCIENT_COMPATIBILITY extern int mctraceenabled, mcdefaultmain; #endif #endif /* Useful macros ============================================================ */ /* MPI stuff */ #ifdef USE_MPI #include "mpi.h" #ifdef OMPI_MPI_H /* openmpi does not use signals: we may install our sighandler */ #undef NOSIGNALS #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 1000 #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 */ 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 */ /* Following part is only embedded when not redundant with mccode.h ========= */ #ifndef MCCODE_H #ifndef NOSIGNALS #include #define SIG_MESSAGE(msg) strcpy(mcsig_message, msg); #else #define SIG_MESSAGE(msg) #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 PI # ifdef M_PI # define PI M_PI # else # define PI 3.14159265358979323846 # endif #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*/ /* 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) \ (mccomp_posa[index]) #define POS_R_COMP_INDEX(index) \ (mccomp_posr[index]) /* number of SCATTER calls in current comp: mcScattered defined in generated C code */ #define SCATTERED mcScattered /* Flag to indicate if neutron needs to be restored: mcRestore defined in generated C code */ #define RESTORE mcRestore /* Retrieve component information from the kernel */ /* Name, position and orientation (both absolute and relative) */ /* Any component: For "redundancy", see comment by KN */ #define tmp_name_comp(comp) #comp #define NAME_COMP(comp) tmp_name_comp(comp) #define tmp_pos_a_comp(comp) (mcposa ## comp) #define POS_A_COMP(comp) tmp_pos_a_comp(comp) #define tmp_pos_r_comp(comp) (mcposr ## comp) #define POS_R_COMP(comp) tmp_pos_r_comp(comp) #define tmp_rot_a_comp(comp) (mcrota ## comp) #define ROT_A_COMP(comp) tmp_rot_a_comp(comp) #define tmp_rot_r_comp(comp) (mcrotr ## comp) #define ROT_R_COMP(comp) tmp_rot_r_comp(comp) /* Current component name, index, position and orientation */ #define NAME_CURRENT_COMP NAME_COMP(mccompcurname) #define INDEX_CURRENT_COMP mccompcurindex #define POS_A_CURRENT_COMP POS_A_COMP(mccompcurname) #define POS_R_CURRENT_COMP POS_R_COMP(mccompcurname) #define ROT_A_CURRENT_COMP ROT_A_COMP(mccompcurname) #define ROT_R_CURRENT_COMP ROT_R_COMP(mccompcurname) /* Note: The two-stage approach to MC_GETPAR is NOT redundant; without it, * after #define C sample, MC_GETPAR(C,x) would refer to component C, not to * component sample. Such are the joys of ANSI C. * Anyway the usage of MCGETPAR requires that we use sometimes bare names... */ #define MC_GETPAR2(comp, par) (mcc ## comp ## _ ## par) #define MC_GETPAR(comp, par) MC_GETPAR2(comp,par) /* MCDISPLAY/trace and debugging message sent to stdout */ #ifdef MC_TRACE_ENABLED #define DEBUG #endif #ifdef DEBUG #define mcDEBUG_INSTR() if(!mcdotrace); else { printf("INSTRUMENT:\n"); printf("Instrument '%s' (%s)\n", mcinstrument_name, mcinstrument_source); } #define mcDEBUG_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 mcDEBUG_INSTR_END() if(!mcdotrace); else printf("INSTRUMENT END:\n"); #define mcDEBUG_ENTER() if(!mcdotrace); else printf("ENTER:\n"); #define mcDEBUG_COMP(c) if(!mcdotrace); else printf("COMP: \"%s\"\n", c); #define mcDEBUG_LEAVE() if(!mcdotrace); else printf("LEAVE:\n"); #define mcDEBUG_ABSORB() if(!mcdotrace); else printf("ABSORB:\n"); #else #define mcDEBUG_INSTR() #define mcDEBUG_COMPONENT(name,c,t) #define mcDEBUG_INSTR_END() #define mcDEBUG_ENTER() #define mcDEBUG_COMP(c) #define mcDEBUG_LEAVE() #define mcDEBUG_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_linemcdis_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); void mcdis_circle(char *plane, double x, double y, double z, double r); /* selection of random number generator. default is MT */ #ifndef MC_RAND_ALG #define MC_RAND_ALG 1 #endif #if MC_RAND_ALG == 0 /* Use system random() (not recommended). */ # define MC_RAND_MAX RAND_MAX #elif MC_RAND_ALG == 1 /* "Mersenne Twister", by Makoto Matsumoto and Takuji Nishimura. */ # define MC_RAND_MAX ((unsigned long)0xffffffff) # define random mt_random # define srandom mt_srandom #elif MC_RAND_ALG == 2 /* Algorithm used in McStas CVS-080208 and earlier (not recommended). */ # define MC_RAND_MAX 0x7fffffff # define random mc_random # define srandom mc_srandom #else # error "Bad value for random number generator choice." #endif typedef int mc_int32_t; mc_int32_t mc_random(void); void mc_srandom (unsigned int x); unsigned long mt_random(void); void mt_srandom (unsigned long x); double rand01(); double randpm1(); double rand0max(double max); double randminmax(double min, double max); double randnorm(void); double randtriangle(void); #ifndef DANSE void mcinit(void); void mcraytrace(void); void mcsave(FILE *); void mcfinally(void); void mcdisplay(void); #endif /* 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) mcstatic inline void vec_prod_func(double *x, double *y, double *z, double x1, double y1, double z1, double x2, double y2, double z2); mcstatic inline double scalar_prod( double x1, double y1, double z1, double x2, double y2, double z2); #define NORM(x,y,z) \ norm_func(&x, &y, &z) mcstatic inline 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; } } #define normal_vec(nx, ny, nz, x, y, z) \ normal_vec_func(&(nx), &(ny), &(nz), x, y, z) mcstatic inline void normal_vec_func(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) Coords coords_set(MCNUM x, MCNUM y, MCNUM z); Coords coords_get(Coords a, MCNUM *x, MCNUM *y, MCNUM *z); Coords coords_add(Coords a, Coords b); Coords coords_sub(Coords a, Coords b); Coords coords_neg(Coords a); Coords coords_scale(Coords b, double scale); double coords_sp(Coords a, Coords b); Coords coords_xp(Coords b, Coords c); void coords_print(Coords a); mcstatic inline void coords_norm(Coords* c); void rot_set_rotation(Rotation t, double phx, double phy, double phz); int rot_test_identity(Rotation t); void rot_mul(Rotation t1, Rotation t2, Rotation t3); void rot_copy(Rotation dest, Rotation src); void rot_transpose(Rotation src, Rotation dst); Coords rot_apply(Rotation t, Coords a); void mccoordschange(Coords a, Rotation t, double *x, double *y, double *z, double *vx, double *vy, double *vz, double *sx, double *sy, double *sz); 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*/ /* void mcsetstate(double x, double y, double z, double vx, double vy, double vz, double t, double sx, double sy, double sz, double p); */ void mcgenstate(void); /* trajectory/shape intersection routines */ int inside_rectangle(double, double, double, double); 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); int cylinder_intersect(double *t0, double *t1, double x, double y, double z, double vx, double vy, double vz, double r, double h); 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 */ int solve_2nd_order(double *t1, double *t2, double A, double B, double C); /* random vector generation to shape */ void randvec_target_circle(double *xo, double *yo, double *zo, double *solid_angle, double xi, double yi, double zi, double radius); #define randvec_target_sphere randvec_target_circle 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); #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) 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); /* 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 */ char position[CHAR_BUF_LENGTH]; /* position of detector component */ char component[CHAR_BUF_LENGTH]; /* component instance name */ 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 *mcdirname = NULL; /* name of output directory */ static char *mcsiminfo_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 * mcsiminfo_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 *mcsiminfo_file = NULL; #endif /* I/O function prototypes ================================================== */ /* output functions */ MCDETECTOR mcdetector_out_0D(char *t, double p0, double p1, double p2, char *c, Coords pos); 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); 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); MCDETECTOR mcdetector_out_list(char *t, char *xl, char *yl, long m, long n, double *p1, char *f, char *c, Coords posa); /* 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) #define DETECTOR_OUT_0D(t,p0,p1,p2) mcdetector_out_0D(t,p0,p1,p2,NAME_CURRENT_COMP,POS_A_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) #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) #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". */ #line 688 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" #line 1 "mcstas-r.h" /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright (C) 1997-2009, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Runtime: share/mcstas-r.h * * %Identification * Written by: KN * Date: Aug 29, 1997 * Release: McStas X.Y * Version: $Revision$ * * Runtime system header for McStas. * * 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 mcinstrument_name[], mcinstrument_source[]; * int mctraceenabled, mcdefaultmain; * extern MCNUM mccomp_storein[]; * extern MCNUM mcAbsorbProp[]; * extern MCNUM mcScattered; * #define MCCODE_STRING "the McStas version" * * Usage: Automatically embbeded in the c code. * * $Id$ * *******************************************************************************/ #ifndef MCSTAS_R_H #define MCSTAS_R_H "$Revision$" /* Following part is only embedded when not redundent with mcstas.h ========= */ #ifndef MCCODE_H #define AA2MS 629.622368 /* Convert k[1/AA] to v[m/s] */ #define MS2AA 1.58825361e-3 /* Convert v[m/s] to k[1/AA] */ #define K2V AA2MS #define V2K MS2AA #define Q2V AA2MS #define V2Q MS2AA #define SE2V 437.393377 /* Convert sqrt(E)[meV] to v[m/s] */ #define VS2E 5.22703725e-6 /* Convert (v[m/s])**2 to E[meV] */ #define SCATTER do {mcDEBUG_SCATTER(mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, \ mcnlt,mcnlsx,mcnlsy,mcnlsz, mcnlp); mcScattered++;} while(0) #define ABSORB do {mcDEBUG_STATE(mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, \ mcnlt,mcnlsx,mcnlsy,mcnlsz, mcnlp); mcDEBUG_ABSORB(); MAGNET_OFF; goto mcabsorb;} while(0) #define STORE_NEUTRON(index, x, y, z, vx, vy, vz, t, sx, sy, sz, p) \ mcstore_neutron(mccomp_storein,index, x, y, z, vx, vy, vz, t, sx, sy, sz, p); #define RESTORE_NEUTRON(index, x, y, z, vx, vy, vz, t, sx, sy, sz, p) \ mcrestore_neutron(mccomp_storein,index, &x, &y, &z, &vx, &vy, &vz, &t, &sx, &sy, &sz, &p); #define MAGNET_ON \ do { \ mcMagnet = 1; \ } while(0) #define MAGNET_OFF \ do { \ mcMagnet = 0; \ } while(0) #define ALLOW_BACKPROP \ do { \ mcallowbackprop = 1; \ } while(0) #define DISALLOW_BACKPROP \ do { \ mcallowbackprop = 0; \ } while(0) #define PROP_MAGNET(dt) \ do { \ }while (0) /* 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);\ mcnlx += mcnlvx*(dt); \ mcnly += mcnlvy*(dt); \ mcnlz += mcnlvz*(dt); \ mcnlt += (dt); \ if (isnan(p) || isinf(p)) { mcAbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }\ } while(0) /* ADD: E. Farhi, Aug 6th, 2001 PROP_GRAV_DT propagation with acceleration */ #define PROP_GRAV_DT(dt, Ax, Ay, Az) \ do { \ if(dt < 0 && mcallowbackprop == 0) { mcAbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }\ if (mcMagnet) printf("Spin precession gravity\n"); \ mcnlx += mcnlvx*(dt) + (Ax)*(dt)*(dt)/2; \ mcnly += mcnlvy*(dt) + (Ay)*(dt)*(dt)/2; \ mcnlz += mcnlvz*(dt) + (Az)*(dt)*(dt)/2; \ mcnlvx += (Ax)*(dt); \ mcnlvy += (Ay)*(dt); \ mcnlvz += (Az)*(dt); \ mcnlt += (dt); \ DISALLOW_BACKPROP;\ } while(0) #define PROP_DT(dt) \ do { \ if(dt < 0) { RESTORE=1; goto mcabsorbComp; }; \ 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_Z0 \ do { \ if (mcgravitation) { Coords mcLocG; int mc_ret; \ double mc_dt, 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); \ mc_ret = solve_2nd_order(&mc_dt, NULL, -mc_gz/2, -mcnlvz, -mcnlz); \ if (mc_ret && mc_dt>=0) {PROP_GRAV_DT(mc_dt, mc_gx, mc_gy, mc_gz); mcnlz=0;}\ else { if (mcallowbackprop ==0) {mcAbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }}; }\ else mcPROP_Z0; \ DISALLOW_BACKPROP;\ } while(0) #define mcPROP_Z0 \ do { \ double mc_dt; \ if(mcnlvz == 0) { mcAbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }; \ mc_dt = -mcnlz/mcnlvz; \ if(mc_dt < 0 && mcallowbackprop == 0) { mcAbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }; \ mcPROP_DT(mc_dt); \ mcnlz = 0; \ DISALLOW_BACKPROP;\ } while(0) #define PROP_X0 \ do { \ if (mcgravitation) { Coords mcLocG; int mc_ret; \ double mc_dt, 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); \ mc_ret = solve_2nd_order(&mc_dt, NULL, -mc_gx/2, -mcnlvx, -mcnlx); \ if (mc_ret && mc_dt>=0) PROP_GRAV_DT(mc_dt, mc_gx, mc_gy, mc_gz); \ else { if (mcallowbackprop ==0) {mcAbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }}; }\ else mcPROP_X0; \ DISALLOW_BACKPROP;\ } while(0) #define mcPROP_X0 \ do { \ double mc_dt; \ if(mcnlvx == 0) { mcAbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }; \ mc_dt = -mcnlx/mcnlvx; \ if(mc_dt < 0 && mcallowbackprop == 0) { mcAbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }; \ mcPROP_DT(mc_dt); \ mcnlx = 0; \ DISALLOW_BACKPROP;\ } while(0) #define PROP_Y0 \ do { \ if (mcgravitation) { Coords mcLocG; int mc_ret; \ double mc_dt, 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); \ mc_ret = solve_2nd_order(&mc_dt, NULL, -mc_gy/2, -mcnlvy, -mcnly); \ if (mc_ret && mc_dt>=0) PROP_GRAV_DT(mc_dt, mc_gx, mc_gy, mc_gz); \ else { if (mcallowbackprop ==0) {mcAbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }}; }\ else mcPROP_Y0; \ DISALLOW_BACKPROP;\ } while(0) #define mcPROP_Y0 \ do { \ double mc_dt; \ if(mcnlvy == 0) { mcAbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }; \ mc_dt = -mcnly/mcnlvy; \ if(mc_dt < 0 && mcallowbackprop == 0) { mcAbsorbProp[INDEX_CURRENT_COMP]++; ABSORB; }; \ mcPROP_DT(mc_dt); \ mcnly = 0; \ DISALLOW_BACKPROP; \ } while(0) /*moved from mccode-r.h*/ void mcsetstate(double x, double y, double z, double vx, double vy, double vz, double t, double sx, double sy, double sz, double p); #ifdef DEBUG #define mcDEBUG_STATE(x,y,z,vx,vy,vz,t,sx,sy,sz,p) if(!mcdotrace); else \ printf("STATE: %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g\n", \ x,y,z,vx,vy,vz,t,sx,sy,sz,p); #define mcDEBUG_SCATTER(x,y,z,vx,vy,vz,t,sx,sy,sz,p) if(!mcdotrace); else \ printf("SCATTER: %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g\n", \ x,y,z,vx,vy,vz,t,sx,sy,sz,p); #else #define mcDEBUG_STATE(x,y,z,vx,vy,vz,t,sx,sy,sz,p) #define mcDEBUG_SCATTER(x,y,z,vx,vy,vz,t,sx,sy,sz,p) #endif #endif /* !MCCODE_H */ #endif /* MCSTAS_R_H */ /* End of file "mcstas-r.h". */ #line 921 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" #line 1 "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 // UNIX specific headers (non-Windows) #if defined(__unix__) || defined(__APPLE__) #include #include #endif #ifndef DANSE #ifdef MC_ANCIENT_COMPATIBILITY int mctraceenabled = 0; int mcdefaultmain = 0; #endif /* else defined directly in the McCode generated C code */ static long mcseed = 0; /* seed for random generator */ 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 */ int mcMagnet = 0; /* magnet stack flag */ mcstatic int mcdotrace = 0; /* flag for --trace and messages for DISPLAY */ int mcallowbackprop = 0; /* flag to enable negative/backprop */ /* Number of particle histories to simulate. */ #ifdef NEUTRONICS mcstatic unsigned long long int mcncount = 1; mcstatic unsigned long long int mcrun_num = 0; #else mcstatic unsigned long long int mcncount = 1000000; mcstatic unsigned long long int mcrun_num = 0; #endif /* NEUTRONICS */ #else #include "mcstas-globals.h" #endif /* !DANSE */ /* SECTION: MPI handling ==================================================== */ #ifdef USE_MPI /* MPI rank */ static int mpi_node_rank; static int mpi_node_root = 0; /******************************************************************************* * mc_MPI_Reduce: Gathers arrays from MPI nodes using Reduce function. *******************************************************************************/ int mc_MPI_Sum(double *sbuf, long count) { if (!sbuf || count <= 0) return(MPI_SUCCESS); /* nothing to reduce */ else { /* we must cut the buffer into blocks not exceeding the MPI max buffer size of 32000 */ long offset=0; double *rbuf=NULL; int length=MPI_REDUCE_BLOCKSIZE; /* defined in mccode-r.h */ int i=0; rbuf = calloc(count, sizeof(double)); if (!rbuf) exit(-fprintf(stderr, "Error: Out of memory %li (mc_MPI_Sum)\n", count*sizeof(double))); while (offset < count) { if (!length || offset+length > 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*)(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*)(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_double, mcparminfo_double, mcparmerror_double, mcparmprinter_double }, { mcparm_int, mcparminfo_int, mcparmerror_int, mcparmprinter_int }, { mcparm_string, mcparminfo_string, mcparmerror_string, mcparmprinter_string } }; /******************************************************************************* * 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 /******************************************************************************* * mcfull_file: allocates a full file name=mcdirname+file. Catenate extension if missing. *******************************************************************************/ char *mcfull_file(char *name, char *ext) { int dirlen=0; char *mem =NULL; dirlen = mcdirname ? strlen(mcdirname) : 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, mcdirname); 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 mcdirname 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 mcdirname/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: mcdetector_import *******************************************************************************/ MCDETECTOR mcdetector_statistics( MCDETECTOR detector) { if (!detector.p1 || !detector.m || !detector.filename) 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 %li 1D " MCCODE_STRING " data set for file '%s' (mcdetector_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 */ /******************************************************************************* * mcdetector_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=mcsiminfo_name * This function is equivalent to the old 'mcdetector_out', returning a structure *******************************************************************************/ MCDETECTOR mcdetector_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) { 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); snprintf(detector.instrument, CHAR_BUF_LENGTH, "%s (%s)", mcinstrument_name, mcinstrument_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=abs(m); n=abs(n); p=abs(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 ===================================== */ 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)); strcat(Parameters, ThisParam); if (strlen(Parameters) >= CHAR_BUF_LENGTH-64) break; } /* output data ============================================================ */ if (f != stdout) fprintf(f, "%sFile: %s%c%s\n", pre, mcdirname, MC_PATHSEP_C, mcsiminfo_name); else fprintf(f, "%sCreator: %s\n", pre, MCCODE_STRING); fprintf(f, "%sSource: %s\n", pre, mcinstrument_source); fprintf(f, "%sParameters: %s\n", pre, Parameters); fprintf(f, "%sTrace_enabled: %s\n", pre, mctraceenabled ? "yes" : "no"); fprintf(f, "%sDefault_main: %s\n", pre, mcdefaultmain ? "yes" : "no"); fprintf(f, "%sEmbedded_runtime: %s\n", pre, #ifdef MC_EMBEDDED_RUNTIME "yes" #else "no" #endif ); fflush(f); } /* mcinfo_out */ /******************************************************************************* * mcruninfo_out: output simulation tags/info (both in SIM and data files) * Used in: mcsiminfo_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, mcinstrument_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, mcdirname ? mcdirname : "."); #ifdef USE_MPI if (mpi_node_count > 1) fprintf(f, "%sNodes: %i\n", pre, mpi_node_count); #endif /* output parameter string ================================================ */ for(i = 0; i < mcnumipar; i++) { if (mcget_run_num() || (mcinputtable[i].val && strlen(mcinputtable[i].val))) { if (mcinputtable[i].par == NULL) strncpy(Parameters, (mcinputtable[i].val ? mcinputtable[i].val : ""), CHAR_BUF_LENGTH); else (*mcinputtypes[mcinputtable[i].type].printer)(Parameters, mcinputtable[i].par); fprintf(f, "%sParam: %s=%s\n", pre, mcinputtable[i].name, Parameters); } } fflush(f); } /* mcruninfo_out */ /******************************************************************************* * mcsiminfo_out: wrapper to fprintf(mcsiminfo_file) *******************************************************************************/ void mcsiminfo_out(char *format, ...) { va_list ap; if(mcsiminfo_file && !mcdisable_output_files) { va_start(ap, format); vfprintf(mcsiminfo_file, format, ap); va_end(ap); } } /* mcsiminfo_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, "%g ", 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( mcsiminfo_out("\nbegin data\n"); // detector.component mcdatainfo_out(" ", mcsiminfo_file, detector); mcsiminfo_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. */ mcsiminfo_out("\nbegin data\n"); // detector.filename mcdatainfo_out(" ", mcsiminfo_file, detector); mcsiminfo_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. */ mcsiminfo_out("\nbegin data\n"); // detector.filename mcdatainfo_out(" ", mcsiminfo_file, detector); mcsiminfo_out("end data\n"); mcruninfo_out( "# ", outfile); mcdatainfo_out("# ", outfile, detector); 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, "r"); 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: mcsiminfo_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, mcinstrument_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", mcdirname && strlen(mcdirname) ? mcdirname : ".", MC_PATHSEP_S, mcsiminfo_name, mcinstrument_name); nxprintattr(f, "program_name", MCCODE_STRING); nxprintattr(f, "instrument", mcinstrument_name); nxprintattr(f, "simulation", "%s%s%s", mcdirname && strlen(mcdirname) ? mcdirname : ".", MC_PATHSEP_S, mcsiminfo_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 < mcnumipar; 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", mcinstrument_name); nxprintf (f, "name", mcinstrument_name); nxprintattr(f, "Source", mcinstrument_source); nxprintattr(f, "Trace_enabled", mctraceenabled ? "yes" : "no"); nxprintattr(f, "Default_main", mcdefaultmain ? "yes" : "no"); nxprintattr(f, "Embedded_runtime", #ifdef MC_EMBEDDED_RUNTIME "yes" #else "no" #endif ); /* add instrument source code when available */ buffer = mcinfo_readfile(mcinstrument_source); if (buffer && strlen(buffer)) { long length=strlen(buffer); nxprintf (f, "description", buffer); NXopendata(f,"description"); nxprintattr(f, "file_name", mcinstrument_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", mcinstrument_name); free(buffer); } else nxprintf (f, "description", "File %s not found (instrument description %s is missing)", mcinstrument_source, mcinstrument_name); /* add Mantid/IDF.xml when available */ char *IDFfile=NULL; IDFfile = (char*)malloc(CHAR_BUF_LENGTH); sprintf(IDFfile,"%s%s",mcinstrument_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", mcinstrument_source); nxprintf(f, "type", "text/xml"); NXclosegroup(f); /* instrument_xml */ free(buffer); } free(IDFfile); 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", mcdirname && strlen(mcdirname) ? mcdirname : ".", MC_PATHSEP_S, mcsiminfo_name); nxprintf (f, "name", "%s", mcsiminfo_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",mcinstrument_source); nxprintattr(f, "Trace", mcdotrace ? "yes" : "no"); nxprintattr(f, "Gravitation",mcgravitation ? "yes" : "no"); nxprintattr(f, "Seed", "%li", mcseed); nxprintattr(f, "Directory", mcdirname); #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) if (NXopengroup(f, "Param", "NXparameters") == NX_OK) { int i; char string[CHAR_BUF_LENGTH]; for(i = 0; i < mcnumipar; 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 monitors */ NXmakegroup(f, "data", "NXdetector"); /* leave the NXentry opened (closed at exit) */ } /* NXentry */ } /* mcinfo_out_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[32]; if (!f || !detector.m || mcdisable_output_files) return; strcpy_valid(data_name, detector.filename && strlen(detector.filename) ? detector.filename : detector.component); /* the NXdetector group has been created in mcinfo_out_nexus (mcsiminfo_init) */ if (NXopengroup(f, "data", "NXdetector") == NX_OK) { /* create and open the data group */ /* this may fail when appending to list -> ignore/skip */ NXMDisableErrorReporting(); /* unactivate NeXus error messages, as creation may fail */ 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); nxprintf(f, "distance", detector.position); nxprintf(f, "acquisition_mode", strcasestr(detector.format, "list") ? "event" : "summed"); NXclosegroup(f); } /* NXdata (filename) */ NXMEnableErrorReporting(); /* re-enable NeXus error messages */ NXclosegroup(f); } /* NXdetector (data) */ } /* 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[length]; char valid[32]; 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_COMP_LZW, &dim); /* open it */ if (NXopendata(f, valid) != NX_OK) { fprintf(stderr, "Warning: could not open axis rank %i '%s' (NeXus)\n", rank, 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); 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) { int dims[3]={detector.m,detector.n,detector.p}; /* number of elements to write */ int signal=1; int exists=0; int 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")) dims[0] = NX_UNLIMITED; /* create the data set in NXdata group */ NXMDisableErrorReporting(); /* unactivate NeXus error messages, as creation may fail */ /* NXcompmakedata fails with NX_UNLIMITED */ if (strcasestr(detector.format, "list")) ret = NXmakedata( f, part, NX_FLOAT64, detector.rank, dims); else ret = NXcompmakedata(f, part, NX_FLOAT64, detector.rank, dims, NX_COMP_LZW, 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); NXgetinfo(f, &rank, current_dims, &datatype); NXclosedata(f); } NXMEnableErrorReporting(); /* re-enable NeXus error messages */ dims[0] = detector.m; /* restore actual dimension from data writing */ /* 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 */ NXputslab(f, data, current_dims, dims); if (!exists) printf("Events: \"%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", detector.filename && 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[32]; if (!f || !detector.m || mcdisable_output_files) return(NX_OK); strcpy_valid(data_name, detector.filename && strlen(detector.filename) ? detector.filename : detector.component); /* the NXdetector group has been created in mcinfo_out_nexus (mcsiminfo_init) */ if (NXopengroup(f, "data", "NXdetector") == NX_OK) { /* the NXdata group has been created in mcdatainfo_out_nexus */ if (NXopengroup(f, data_name, "NXdata") == NX_OK) { /* 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); } /* !list */ /* write the actual data (appended if already exists) */ if (!strcasestr(detector.format, "list")) { 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 mcdetector_out_array_nexus( f, "events", detector.p1, detector); NXclosegroup(f); } /* NXdata */ NXclosegroup(f); } /* NXdetector */ 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; 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 */ return (detector); } /* end slaves */ /* MPI master: receive data from slaves sequentially: 2 MPI_Recv calls */ for(node_i=0; node_i 1) { mcdetector_out_list_slaves(detector); } #endif /* USE_MPI */ return(detector); } /* mcdetector_out_2D_nexus */ #endif /* USE_NEXUS*/ /* ========================================================================== */ /* Main input functions */ /* DETECTOR_OUT_xD function calls -> ascii or NeXus */ /* ========================================================================== */ /******************************************************************************* * mcsiminfo_init: open SIM and write header *******************************************************************************/ FILE *mcsiminfo_init(FILE *f) { int exists=0; int index; /* 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 (mcsiminfo_file || mcdisable_output_files) return (mcsiminfo_file); #ifdef USE_NEXUS /* only master writes NeXus header: calls NXopen(nxhandle) */ if (mcformat && strcasestr(mcformat, "NeXus")) { MPI_MASTER( mcsiminfo_file = mcnew_file(mcsiminfo_name, "h5", &exists); if(!mcsiminfo_file) fprintf(stderr, "Warning: could not open simulation description file '%s'\n", mcsiminfo_name); else mcinfo_out_nexus(nxhandle); ); return(mcsiminfo_file); /* points to nxhandle */ } #endif /* write main description file (only MASTER) */ MPI_MASTER( mcsiminfo_file = mcnew_file(mcsiminfo_name, "sim", &exists); if(!mcsiminfo_file) fprintf(stderr, "Warning: could not open simulation description file '%s'\n", mcsiminfo_name); else { /* write SIM header */ time_t t=time(NULL); mcsiminfo_out("%s simulation description file for %s.\n", MCCODE_NAME, mcinstrument_name); mcsiminfo_out("Date: %s", ctime(&t)); /* includes \n */ mcsiminfo_out("Program: %s\n\n", MCCODE_STRING); mcsiminfo_out("begin instrument: %s\n", mcinstrument_name); mcinfo_out( " ", mcsiminfo_file); mcsiminfo_out("end instrument\n"); mcsiminfo_out("\nbegin simulation: %s\n", mcdirname); mcruninfo_out(" ", mcsiminfo_file); mcsiminfo_out("end simulation\n"); } return (mcsiminfo_file); ); /* MPI_MASTER */ } /* mcsiminfo_init */ /******************************************************************************* * mcsiminfo_close: close SIM *******************************************************************************/ void mcsiminfo_close() { MPI_MASTER( if(mcsiminfo_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(mcsiminfo_file); ); mcsiminfo_file = NULL; } } /* mcsiminfo_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) { /* import and perform basic detector analysis (and handle MPI reduce) */ MCDETECTOR detector = mcdetector_import(mcformat, c, (t ? t : MCCODE_STRING " data"), 1, 1, 1, "I", "", "", "I", "", "", 0, 0, 0, 0, 0, 0, "", &p0, &p1, &p2, posa); /* 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. *******************************************************************************/ 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) { /* import and perform basic detector analysis (and handle MPI_Reduce) */ MCDETECTOR detector = mcdetector_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); /* write Detector: line */ if (!detector.p1 || !detector.m) return(detector); #ifdef USE_NEXUS if (strcasestr(detector.format, "NeXus")) return(mcdetector_out_1D_nexus(detector)); else #endif return(mcdetector_out_1D_ascii(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 *******************************************************************************/ 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) { 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 (abs(m) == 1) {// n>1 on Y, m==1 on X: 1D, no X axis detector = mcdetector_import(mcformat, c, (t ? t : MCCODE_STRING " 1D data"), m, n, 1, yl, xl, "Signal per bin", yvar, xvar, "I", y1, y2, x1, x1, 0, 0, f, p0, p1, p2, posa); /* write Detector: line */ } else { detector = mcdetector_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); /* 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_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) { 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(t, xl, yl, 1,abs(m),1,abs(n), m,n, NULL, p1, NULL, f, c, posa); 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://"))) mcdirname = dir; else mcdirname = dir+strlen("file://"); MPI_MASTER( if(mkdir(mcdirname, 0777)) { #ifndef DANSE 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); } ); /* MPI_MASTER */ /* remove trailing PATHSEP (if any) */ while (strlen(mcdirname) && mcdirname[strlen(mcdirname) - 1] == MC_PATHSEP_C) mcdirname[strlen(mcdirname) - 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", mcinstrument_name); mcinfo_out(" ", stdout); fprintf(stdout, "end instrument\n"); fprintf(stdout, "begin simulation: %s\n", mcdirname ? mcdirname : "."); mcruninfo_out(" ", stdout); fprintf(stdout, "end simulation\n"); exit(0); /* includes MPI_Finalize in MPI mode */ } /* mcinfo */ #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 in TRACE */ unsigned long long int mcget_run_num(void) { 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){ printf("MCDISPLAY: magnify('%s')\n", what); } 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); } } /* 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){ 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); } 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); } /* 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_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) { fprintf(stdout, "(%f, %f, %f)\n", a.x, a.y, a.z); return; } mcstatic inline 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; } /******************************************************************************* * 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. */ mcstatic inline 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. */ mcstatic inline double scalar_prod( double x1, double y1, double z1, double x2, double y2, double z2) { return ((x1 * x2) + (y1 * y2) + (z1 * z2)); } /******************************************************************************* * mccoordschange: applies rotation to (x y z) and (vx vy vz) and Spin (sx,sy,sz) *******************************************************************************/ void mccoordschange(Coords a, Rotation t, double *x, double *y, double *z, double *vx, double *vy, double *vz, double *sx, double *sy, double *sz) { 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 (*vz != 0.0 || *vx != 0.0 || *vy != 0.0) mccoordschange_polarisation(t, vx, vy, vz); if (*sz != 0.0 || *sx != 0.0 || *sy != 0.0) mccoordschange_polarisation(t, sx, sy, sz); } /******************************************************************************* * 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). */ mcstatic inline void normal_vec_func(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(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 */ /******************************************************************************* * randvec_target_circle: Choose random direction towards target at (x,y,z) * with given radius. * If radius is zero, choose random direction in full 4PI, no target. ******************************************************************************/ void randvec_target_circle(double *xo, double *yo, double *zo, double *solid_angle, double xi, double yi, double zi, double radius) { double l2, phi, theta, nx, ny, nz, xt, yt, zt, xu, yu, zu; if(radius == 0.0) { /* No target, choose uniformly a direction in full 4PI solid angle. */ theta = acos (1 - rand0max(2)); phi = rand0max(2 * PI); if(solid_angle) *solid_angle = 4*PI; nx = 1; ny = 0; nz = 0; yi = sqrt(xi*xi+yi*yi+zi*zi); zi = 0; xi = 0; } else { double costheta0; l2 = xi*xi + yi*yi + zi*zi; /* sqr Distance to target. */ costheta0 = sqrt(l2/(radius*radius+l2)); if (radius < 0) costheta0 *= -1; if(solid_angle) { /* Compute solid angle of target as seen from origin. */ *solid_angle = 2*PI*(1 - costheta0); } /* Now choose point uniformly on circle surface within angle theta0 */ theta = acos (1 - rand0max(1 - costheta0)); /* radius on circle */ phi = rand0max(2 * PI); /* rotation on circle at given radius */ /* Now, to obtain the desired vector rotate (xi,yi,zi) angle theta around a perpendicular axis u=i x n and then angle phi around i. */ if(xi == 0 && zi == 0) { nx = 1; ny = 0; nz = 0; } else { nx = -zi; nz = xi; ny = 0; } } /* [xyz]u = [xyz]i x n[xyz] (usually vertical) */ vec_prod(xu, yu, zu, xi, yi, zi, nx, ny, nz); /* [xyz]t = [xyz]i rotated theta around [xyz]u */ rotate (xt, yt, zt, xi, yi, zi, theta, xu, yu, zu); /* [xyz]o = [xyz]t rotated phi around n[xyz] */ rotate (*xo, *yo, *zo, xt, yt, zt, phi, xi, yi, zi); } /* randvec_target_circle */ /******************************************************************************* * randvec_target_rect_angular: Choose random direction towards target at * (xi,yi,zi) with given ANGULAR dimension height x width. height=phi_x=[0,PI], * width=phi_y=[0,2*PI] (radians) * If height or width is zero, choose random direction in full 4PI, no target. *******************************************************************************/ void randvec_target_rect_angular(double *xo, double *yo, double *zo, double *solid_angle, double xi, double yi, double zi, double width, double height, Rotation A) { double theta, phi, nx, ny, nz, xt, yt, zt, xu, yu, zu; 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 { if(solid_angle) { /* Compute solid angle of target as seen from origin. */ *solid_angle = 2*fabs(width*sin(height/2)); } /* Go to global coordinate system */ tmp = coords_set(xi, yi, zi); tmp = rot_apply(Ainverse, tmp); coords_get(tmp, &xi, &yi, &zi); /* Now choose point uniformly on the unit sphere segment with angle theta/phi */ phi = width*randpm1()/2.0; theta = asin(randpm1()*sin(height/2.0)); /* Now, to obtain the desired vector rotate (xi,yi,zi) angle theta around n, and then phi around u. */ if(xi == 0 && zi == 0) { nx = 1; ny = 0; nz = 0; } else { nx = -zi; nz = xi; ny = 0; } } /* [xyz]u = [xyz]i x n[xyz] (usually vertical) */ vec_prod(xu, yu, zu, xi, yi, zi, nx, ny, nz); /* [xyz]t = [xyz]i rotated theta around [xyz]u */ rotate (xt, yt, zt, xi, yi, zi, theta, nx, ny, nz); /* [xyz]o = [xyz]t rotated phi around n[xyz] */ rotate (*xo, *yo, *zo, xt, yt, zt, phi, xu, yu, zu); /* Go back to local coordinate system */ tmp = coords_set(*xo, *yo, *zo); tmp = rot_apply(A, tmp); coords_get(tmp, &*xo, &*yo, &*zo); } /* randvec_target_rect_angular */ /******************************************************************************* * randvec_target_rect_real: Choose random direction towards target at (xi,yi,zi) * with given dimension height x width (in meters !). * * Local emission coordinate is taken into account and corrected for 'order' times. * (See remarks posted to mcstas-users by George Apostolopoulus ) * * 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) { 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 ================================================== */ /* * Copyright (c) 1983 Regents of the University of California. * All rights reserved. * * Redistribution and use in source and binary forms are permitted * provided that the above copyright notice and this paragraph are * duplicated in all such forms and that any documentation, * advertising materials, and other materials related to such * distribution and use acknowledge that the software was developed * by the University of California, Berkeley. The name of the * University may not be used to endorse or promote products derived * from this software without specific prior written permission. * THIS SOFTWARE IS PROVIDED ``AS IS'' AND WITHOUT ANY EXPRESS OR * IMPLIED WARRANTIES, INCLUDING, WITHOUT LIMITATION, THE IMPLIED * WARRANTIES OF MERCHANTIBILITY AND FITNESS FOR A PARTICULAR PURPOSE. */ /* * This is derived from the Berkeley source: * @(#)random.c 5.5 (Berkeley) 7/6/88 * It was reworked for the GNU C Library by Roland McGrath. * Rewritten to use reentrant functions by Ulrich Drepper, 1995. */ /******************************************************************************* * Modified for McStas from glibc 2.0.7pre1 stdlib/random.c and * stdlib/random_r.c. * * This way random() is more than four times faster compared to calling * standard glibc random() on ix86 Linux, probably due to multithread support, * ELF shared library overhead, etc. It also makes McStas generated * simulations more portable (more likely to behave identically across * platforms, important for parrallel computations). *******************************************************************************/ #define TYPE_3 3 #define BREAK_3 128 #define DEG_3 31 #define SEP_3 3 static mc_int32_t randtbl[DEG_3 + 1] = { TYPE_3, -1726662223, 379960547, 1735697613, 1040273694, 1313901226, 1627687941, -179304937, -2073333483, 1780058412, -1989503057, -615974602, 344556628, 939512070, -1249116260, 1507946756, -812545463, 154635395, 1388815473, -1926676823, 525320961, -1009028674, 968117788, -123449607, 1284210865, 435012392, -2017506339, -911064859, -370259173, 1132637927, 1398500161, -205601318, }; static mc_int32_t *fptr = &randtbl[SEP_3 + 1]; static mc_int32_t *rptr = &randtbl[1]; static mc_int32_t *state = &randtbl[1]; #define rand_deg DEG_3 #define rand_sep SEP_3 static mc_int32_t *end_ptr = &randtbl[sizeof (randtbl) / sizeof (randtbl[0])]; mc_int32_t mc_random (void) { mc_int32_t result; *fptr += *rptr; /* Chucking least random bit. */ result = (*fptr >> 1) & 0x7fffffff; ++fptr; if (fptr >= end_ptr) { fptr = state; ++rptr; } else { ++rptr; if (rptr >= end_ptr) rptr = state; } return result; } void mc_srandom (unsigned int x) { /* We must make sure the seed is not 0. Take arbitrarily 1 in this case. */ state[0] = x ? x : 1; { long int i; for (i = 1; i < rand_deg; ++i) { /* This does: state[i] = (16807 * state[i - 1]) % 2147483647; but avoids overflowing 31 bits. */ long int hi = state[i - 1] / 127773; long int lo = state[i - 1] % 127773; long int test = 16807 * lo - 2836 * hi; state[i] = test + (test < 0 ? 2147483647 : 0); } fptr = &state[rand_sep]; rptr = &state[0]; for (i = 0; i < 10 * rand_deg; ++i) random (); } } /* "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 /* Period parameters */ #define N 624 #define M 397 #define MATRIX_A 0x9908b0dfUL /* constant vector a */ #define UPPER_MASK 0x80000000UL /* most significant w-r bits */ #define LOWER_MASK 0x7fffffffUL /* least significant r bits */ static unsigned long mt[N]; /* the array for the state vector */ static int mti=N+1; /* mti==N+1 means mt[N] is not initialized */ /* initializes mt[N] with a seed */ void mt_srandom(unsigned long s) { mt[0]= s & 0xffffffffUL; for (mti=1; mti> 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] &= 0xffffffffUL; /* 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(unsigned long init_key[], unsigned long key_length) { int i, j, k; mt_srandom(19650218UL); i=1; j=0; k = (N>key_length ? N : key_length); for (; k; k--) { mt[i] = (mt[i] ^ ((mt[i-1] ^ (mt[i-1] >> 30)) * 1664525UL)) + init_key[j] + j; /* non linear */ mt[i] &= 0xffffffffUL; /* for WORDSIZE > 32 machines */ 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)) * 1566083941UL)) - i; /* non linear */ mt[i] &= 0xffffffffUL; /* for WORDSIZE > 32 machines */ i++; if (i>=N) { mt[0] = mt[N-1]; i=1; } } mt[0] = 0x80000000UL; /* MSB is 1; assuring non-zero initial array */ } /* generates a random number on [0,0xffffffff]-interval */ unsigned long mt_random(void) { unsigned long y; static unsigned long mag01[2]={0x0UL, 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(5489UL); /* a default initial seed is used */ for (kk=0;kk> 1) ^ mag01[y & 0x1UL]; } for (;kk> 1) ^ mag01[y & 0x1UL]; } y = (mt[N-1]&UPPER_MASK)|(mt[0]&LOWER_MASK); mt[N-1] = mt[M-1] ^ (y >> 1) ^ mag01[y & 0x1UL]; mti = 0; } y = mt[mti++]; /* Tempering */ y ^= (y >> 11); y ^= (y << 7) & 0x9d2c5680UL; y ^= (y << 15) & 0xefc60000UL; y ^= (y >> 18); return y; } #undef N #undef M #undef MATRIX_A #undef UPPER_MASK #undef LOWER_MASK /* End of "Mersenne Twister". */ /* End of McCode random number routine. */ /* randnorm: generate a random number from normal law */ double randnorm(void) { static double v1, v2, s; static int phase = 0; double X, u1, u2; if(phase == 0) { do { u1 = rand01(); u2 = rand01(); 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; } /** * Generate a random number from -1 to 1 with triangle distribution */ double randtriangle(void) { double randnum = rand01(); if (randnum>0.5) return(1-sqrt(2*(randnum-0.5))); else return(sqrt(2*randnum)-1); } /** * Random number between 0.0 and 1.0 (including?) */ double rand01() { double randnum; randnum = (double) random(); randnum /= (double) MC_RAND_MAX + 1; return randnum; } /** * Return a random number between 1 and -1 */ double randpm1() { 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) { 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) { return rand0max(max - min) + 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", mcinstrument_name, mcinstrument_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 " MCCODE_PARTICLE "s to simulate.\n" " -d DIR --dir=DIR Put all data files in directory DIR.\n" " -t --trace Enable trace of " MCCODE_PARTICLE "s through instrument.\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" " --format=FORMAT Output data files using FORMAT=" FLAVOR_UPPER #ifdef USE_NEXUS " NEXUS" #endif "\n\n" ); #ifdef USE_MPI fprintf(stderr, "This instrument has been compiled with MPI support.\n Use 'mpirun %s [options] [parm=value ...]'.\n", pgmname); #endif if(mcnumipar > 0) { fprintf(stderr, "Instrument parameters are:\n"); for(i = 0; i < mcnumipar; 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(void) { if(mctraceenabled) mcdotrace = 1; else { 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", mcinstrument_name, mcinstrument_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 mcnumipar to avoid allocating zero size memory block. */ paramsetarray = (int*)malloc((mcnumipar + 1)*sizeof(*paramsetarray)); if(paramsetarray == NULL) { fprintf(stderr, "Error: insufficient memory (mcparseoptions)\n"); exit(1); } for(j = 0; j < mcnumipar; 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("--dir=", argv[i], 6)) usedir=&argv[i][6]; else if(!strcmp("-h", argv[i])) mcshowhelp(argv[0]); else if(!strcmp("--help", 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("-t", argv[i])) mcenabletrace(); else if(!strcmp("--trace", argv[i])) mcenabletrace(); else if(!strcmp("--gravitation", argv[i])) mcgravitation = 1; else if(!strcmp("-g", argv[i])) mcgravitation = 1; else if(!strncmp("--format=", argv[i], 9)) { mcformat=&argv[i][9]; } else if(!strcmp("--format", argv[i]) && (i + 1) < argc) { mcformat=argv[++i]; } else if(!strcmp("--no-output-files", argv[i])) mcdisable_output_files = 1; else if(argv[i][0] != '-' && (p = strchr(argv[i], '=')) != NULL) { *p++ = '\0'; for(j = 0; j < mcnumipar; 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 == mcnumipar) { /* 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(!paramset) mcreadparams(); /* Prompt for parameters if not specified. */ else { for(j = 0; j < mcnumipar; 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)) mcuse_dir(usedir); } /* mcparseoptions */ #ifndef NOSIGNALS mcstatic char mcsig_message[256]; /******************************************************************************* * 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", mcinstrument_name, mcinstrument_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"); mcsave(NULL); fflush(stdout); return; } else if (sig == SIG_TERM) { printf("# " MCCODE_STRING ": Finishing simulation (save results and exit)\n"); mcfinally(); 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 */ /******************************************************************************* * mccode_main: McCode main() function. *******************************************************************************/ int mccode_main(int argc, char *argv[]) { /* double run_num = 0; */ time_t t; #ifdef USE_MPI char mpi_node_name[MPI_MAX_PROCESSOR_NAME]; int mpi_node_name_len; #endif /* USE_MPI */ #ifdef MAC argc = ccommand(&argv); #endif #ifdef USE_MPI MPI_Init(&argc,&argv); MPI_Comm_size(MPI_COMM_WORLD, &mpi_node_count); /* get number of nodes */ MPI_Comm_rank(MPI_COMM_WORLD, &mpi_node_rank); MPI_Comm_set_name(MPI_COMM_WORLD, mcinstrument_name); MPI_Get_processor_name(mpi_node_name, &mpi_node_name_len); #endif /* USE_MPI */ t = time(NULL); mcseed = (long)t+(long)getpid(); #ifdef USE_MPI /* *** print number of nodes *********************************************** */ if (mpi_node_count > 1) { MPI_MASTER( printf("Simulation '%s' (%s): running on %i nodes (master is '%s', MPI version %i.%i).\n", mcinstrument_name, mcinstrument_source, mpi_node_count, mpi_node_name, MPI_VERSION, MPI_SUBVERSION); ); } #endif /* USE_MPI */ mcstartdate = (long)t; /* set start date before parsing options and creating sim file */ /* *** parse options ******************************************************* */ SIG_MESSAGE("main (Start)"); mcformat=getenv(FLAVOR_UPPER "_FORMAT") ? getenv(FLAVOR_UPPER "_FORMAT") : FLAVOR_UPPER; mcinstrument_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 srandom(mcseed); /* *** 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 */ mcsiminfo_init(NULL); /* open SIM */ SIG_MESSAGE("main (Init)"); mcinit(); #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 ================ */ #if defined (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 /* main particle event loop */ while(mcrun_num < mcncount || mcrun_num < mcget_ncount()) { #ifndef NEUTRONICS mcgenstate(); #endif /* old init: mcsetstate(0, 0, 0, 0, 0, 1, 0, sx=0, sy=1, sz=0, 1); */ mcraytrace(); mcrun_num++; } #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 */ mcfinally(); #ifdef USE_MPI MPI_Finalize(); #endif /* USE_MPI */ return 0; } /* mccode_main */ #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 */ mcinit(); /* *** parse options *** */ SIG_MESSAGE("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". */ #line 4831 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" #line 1 "mcstas-r.c" /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright (C) 1997-2009, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Runtime: share/mcstas-r.c * * %Identification * Written by: KN * Date: Aug 29, 1997 * Release: McStas X.Y * Version: $Revision$ * * Runtime system for McStas. * Embedded within instrument in runtime mode. * * Usage: Automatically embbeded in the c code whenever required. * * $Id$ * *******************************************************************************/ #ifndef MCSTAS_R_H #include "mcstas-r.h" #endif #ifdef DANSE #include "mcstas-globals.h" #endif /******************************************************************************* * The I/O format definitions and functions *******************************************************************************/ /*the magnet stack*/ #ifdef MC_POL_COMPAT void (*mcMagnetPrecession) (double, double, double, double, double, double, double, double*, double*, double*, double, Coords, Rotation)=NULL; Coords mcMagnetPos; Rotation mcMagnetRot; double* mcMagnetData = NULL; /* mcMagneticField(x, y, z, t, Bx, By, Bz) */ int (*mcMagneticField) (double, double, double, double, double*, double*, double*, void *) = NULL; #endif #ifndef MCSTAS_H /******************************************************************************* * mcstore_neutron: stores neutron coodinates into global array (per component) *******************************************************************************/ void mcstore_neutron(MCNUM *s, int index, double x, double y, double z, double vx, double vy, double vz, double t, double sx, double sy, double sz, double p) { double *dptr = &s[11*index]; *dptr++ = x; *dptr++ = y ; *dptr++ = z ; *dptr++ = vx; *dptr++ = vy; *dptr++ = vz; *dptr++ = t ; *dptr++ = sx; *dptr++ = sy; *dptr++ = sz; *dptr = p ; } /* mcstore_neutron */ /******************************************************************************* * mcrestore_neutron: restores neutron coodinates from global array *******************************************************************************/ void mcrestore_neutron(MCNUM *s, int index, double *x, double *y, double *z, double *vx, double *vy, double *vz, double *t, double *sx, double *sy, double *sz, double *p) { double *dptr = &s[11*index]; *x = *dptr++; *y = *dptr++; *z = *dptr++; *vx = *dptr++; *vy = *dptr++; *vz = *dptr++; *t = *dptr++; *sx = *dptr++; *sy = *dptr++; *sz = *dptr++; *p = *dptr; } /* mcrestore_neutron */ /******************************************************************************* * mcsetstate: transfer parameters into global McStas variables *******************************************************************************/ void mcsetstate(double x, double y, double z, double vx, double vy, double vz, double t, double sx, double sy, double sz, double p) { extern double mcnx, mcny, mcnz, mcnvx, mcnvy, mcnvz; extern double mcnt, mcnsx, mcnsy, mcnsz, mcnp; mcnx = x; mcny = y; mcnz = z; mcnvx = vx; mcnvy = vy; mcnvz = vz; mcnt = t; mcnsx = sx; mcnsy = sy; mcnsz = sz; mcnp = p; } /* mcsetstate */ /******************************************************************************* * mcgenstate: set default neutron parameters *******************************************************************************/ void mcgenstate(void) { mcsetstate(0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1); /* old initialisation: mcsetstate(0, 0, 0, 0, 0, 1, 0, sx=0, sy=1, sz=0, 1); */ } /* 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 && y_in < dy/2 && z_in > -dz/2 && z_in < dz/2) t[0] = tt; else t[0] = 0; tt = (dx/2 - x)/vx; y_in = y + tt*vy; z_in = z + tt*vz; if( y_in > -dy/2 && y_in < dy/2 && z_in > -dz/2 && z_in < dz/2) t[1] = tt; else t[1] = 0; } else t[0] = t[1] = 0; if(vy != 0) { tt = -(dy/2 + y)/vy; x_in = x + tt*vx; z_in = z + tt*vz; if( x_in > -dx/2 && x_in < dx/2 && z_in > -dz/2 && z_in < dz/2) t[2] = tt; else t[2] = 0; tt = (dy/2 - y)/vy; x_in = x + tt*vx; z_in = z + tt*vz; if( x_in > -dx/2 && x_in < dx/2 && z_in > -dz/2 && z_in < dz/2) t[3] = tt; else t[3] = 0; } else t[2] = t[3] = 0; if(vz != 0) { tt = -(dz/2 + z)/vz; x_in = x + tt*vx; y_in = y + tt*vy; if( x_in > -dx/2 && x_in < dx/2 && y_in > -dy/2 && y_in < dy/2) t[4] = tt; else t[4] = 0; tt = (dz/2 - z)/vz; x_in = x + tt*vx; y_in = y + tt*vy; if( x_in > -dx/2 && x_in < dx/2 && y_in > -dy/2 && y_in < dy/2) t[5] = tt; else t[5] = 0; } else t[4] = t[5] = 0; /* The intersection is evaluated and *dt_in and *dt_out are assigned */ a = b = s = 0; count = 0; for( i = 0; i < 6; i = i + 1 ) if( t[i] == 0 ) s = s+1; else if( count == 0 ) { a = t[i]; count = 1; } else { b = t[i]; count = 2; } if ( a == 0 && b == 0 ) return 0; else if( a < b ) { *dt_in = a; *dt_out = b; return 1; } else { *dt_in = b; *dt_out = a; return 1; } } /* box_intersect */ /******************************************************************************* * cylinder_intersect: compute intersection with a cylinder * returns 0 when no intersection is found * or 2/4/8/16 bits depending on intersection, * and resulting times t0 and t1 * Written by: EM,NB,ABA 4.2.98 *******************************************************************************/ int cylinder_intersect(double *t0, double *t1, double x, double y, double z, double vx, double vy, double vz, double r, double h) { double D, t_in, t_out, y_in, y_out; int ret=1; D = (2*vx*x + 2*vz*z)*(2*vx*x + 2*vz*z) - 4*(vx*vx + vz*vz)*(x*x + z*z - r*r); if (D>=0) { if (vz*vz + vx*vx) { t_in = (-(2*vz*z + 2*vx*x) - sqrt(D))/(2*(vz*vz + vx*vx)); t_out = (-(2*vz*z + 2*vx*x) + sqrt(D))/(2*(vz*vz + vx*vx)); } else if (vy) { /* trajectory parallel to cylinder axis */ t_in = (-h/2-y)/vy; t_out = (h/2-y)/vy; if (t_in>t_out){ double tmp=t_in; t_in=t_out;t_out=tmp; } } else return 0; y_in = vy*t_in + y; y_out =vy*t_out + y; if ( (y_in > h/2 && y_out > h/2) || (y_in < -h/2 && y_out < -h/2) ) return 0; else { if (y_in > h/2) { t_in = ((h/2)-y)/vy; ret += 2; } else if (y_in < -h/2) { t_in = ((-h/2)-y)/vy; ret += 4; } if (y_out > h/2) { t_out = ((h/2)-y)/vy; ret += 8; } else if (y_out < -h/2) { t_out = ((-h/2)-y)/vy; ret += 16; } } *t0 = t_in; *t1 = t_out; return ret; } else { *t0 = *t1 = 0; return 0; } } /* cylinder_intersect */ /******************************************************************************* * sphere_intersect: Calculate intersection between a line and a sphere. * returns 0 when no intersection is found * or 1 in case of intersection with resulting times t0 and t1 *******************************************************************************/ int sphere_intersect(double *t0, double *t1, double x, double y, double z, double vx, double vy, double vz, double r) { double A, B, C, D, v; v = sqrt(vx*vx + vy*vy + vz*vz); A = v*v; B = 2*(x*vx + y*vy + z*vz); C = x*x + y*y + z*z - r*r; D = B*B - 4*A*C; if(D < 0) return 0; D = sqrt(D); *t0 = (-B - D) / (2*A); *t1 = (-B + D) / (2*A); return 1; } /* sphere_intersect */ /******************************************************************************* * plane_intersect: Calculate intersection between a plane and a line. * returns 0 when no intersection is found (i.e. line is parallel to the plane) * returns 1 or -1 when intersection time is positive and negative respectively *******************************************************************************/ int plane_intersect(double *t, double x, double y, double z, double vx, double vy, double vz, double nx, double ny, double nz, double wx, double wy, double wz) { double s; if (fabs(s=scalar_prod(nx,ny,nz,vx,vy,vz)) #include #include 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 */ } t_Table; /* 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); double Table_Index(t_Table Table, long i, long j); /* get indexed value */ 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 */ 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 */ #define Table_ParseHeader(header, ...) \ Table_ParseHeader_backend(header,__VA_ARGS__,NULL); char **Table_ParseHeader_backend(char *header, ...); /* 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); double Table_Interp1d(double x, double x1, double y1, double x2, double y2); double Table_Interp1d_nearest(double x, double x1, double y1, double x2, double y2); 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: 5052 $ * * 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 /******************************************************************************* * 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 && mcinstrument_source && strlen(mcinstrument_source)) /* search in instrument source location */ { char *path_pos = NULL; /* extract path: searches for last file separator */ path_pos = strrchr(mcinstrument_source, MC_PATHSEP_C); /* last PATHSEP */ if (path_pos) { long path_length = path_pos +1 - mcinstrument_source; /* from start to path+sep */ if (path_length) { strncpy(dir, mcinstrument_source, path_length); dir[path_length] = '\0'; snprintf(path, 1024, "%s%c%s", dir, MC_PATHSEP_C, File); hfile = fopen(path, Mode); } } } if (!hfile && mcinstrument_exe && strlen(mcinstrument_exe)) /* search in PWD instrument executable location */ { char *path_pos = NULL; /* extract path: searches for last file separator */ path_pos = strrchr(mcinstrument_exe, MC_PATHSEP_C); /* last PATHSEP */ if (path_pos) { long path_length = path_pos +1 - mcinstrument_exe; /* from start to path+sep */ if (path_length) { strncpy(dir, mcinstrument_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, "Error: 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 rebined 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; long begin; long filesize=0; char name[1024]; char path[1024]; struct stat stfile; 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 (!offset || (offset && !*offset)) printf("Opening input file '%s' (Table_Read)\n", path); ); } /* read file state */ stat(path,&stfile); filesize = stfile.st_size; if (offset && *offset) fseek(hfile, *offset, SEEK_SET); begin = ftell(hfile); if (offset && *offset) snprintf(name, 1024, "%s@%li", File, *offset); else strncpy(name, File, 1024); /* 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); 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; 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( 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) { 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) { 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); data = (double*)realloc(data, (double)nelements*sizeofelement); /* 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); 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; char *Header = 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 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[1024*CHAR_BUF_LENGTH]; long back_pos=0; /* ftell start of line */ 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; Header = (char*)realloc(Header, malloc_size_h*sizeof(char)); } 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; } /* 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+CHAR_BUF_LENGTH; Data = (double*) realloc(Data, malloc_size*sizeof(double)); if (Data == NULL) { fprintf(stderr, "Error: Can not re-allocate memory %li (Table_Read_Handle).\n", malloc_size*sizeof(double)); return (-1); } } 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 */ } 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) { Header = (char*)realloc(Header, count_in_header*sizeof(char) + 1); } 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 ? Table->filename : ""), (!block_number ? " catenated" : ""), count_in_array, Rows, Columns); Columns = count_in_array; Rows = 1; } Data = (double*)realloc(Data, count_in_array*sizeof(double)); 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; New_Table = (double*)malloc(Length_Table*Table->columns*sizeof(double)); 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 ,0); X2 = Table_Index(Table,Index+1,0); } // 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); 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); } 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; if (!strcmp(Table.method,"linear")) ret = Table_Interp2d(X,Y, x1,y1,x2,y2, z11,z12,z21,z22); 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 * return: empty Table *******************************************************************************/ void Table_Free(t_Table *Table) { 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 ? 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 { 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) { long i =0; MCDETECTOR detector; if ((Table.data == NULL) && (Table.rows*Table.columns)) { detector.m = 0; 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}; 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); } 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); } 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; long offset=0; long block_number=0; long allocated=256; long nelements=1; /* fisrt 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 %li (Table_Read_Array).\n", allocated*sizeof(t_Table)); *blocks = 0; return (NULL); } while (nelements > 0) { t_Table Table; /* access file at offset and get following block */ nelements = Table_Read_Offset(&Table, File, 1, &offset,0); /* if ok, set t_Table block number else exit loop */ block_number++; Table.block_number = block_number; /* if t_Table array is not long enough, expand and realocate */ if (block_number >= allocated-1) { allocated += 256; Table_Array = (t_Table *)realloc(Table_Array, allocated*sizeof(t_Table)); if (!Table_Array) { fprintf(stderr, "Error: Can not re-allocate memory %li (Table_Read_Array).\n", allocated*sizeof(t_Table)); *blocks = 0; return (NULL); } } /* 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=0; if (!Table) return; do { if (Table[index].data || Table[index].header) Table_Free(&Table[index]); else index=-1; } while (index>= 0); 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 */ /******************************************************************************* * * 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 EPSILON #define EPSILON 1e-13 #endif #define OFF_INTERSECT_MAX 100 //#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 Coords normal; } polygon; typedef struct off_struct { long vtxSize; long polySize; long faceSize; Coords* vtxArray; Coords* normalArray; unsigned long* faceArray; 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, 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 polyhedra 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 *******************************************************************************/ int off_intersect_all(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, 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, 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 polyhedra 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, 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 polyhedra 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 ); /******************************************************************************* * void off_display(off_struct data) * ACTION: display up to N_VERTEX_DISPLAYED points from the object *******************************************************************************/ void off_display(off_struct); #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 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 ); } 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 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 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 rangex=0,rangey=0,rangez=0; int pol2dx=0,pol2dy=1; //2d restriction of the poly MCNUM x=v.x,y=v.y; //take the most relevant 2D projection (prevent from instability) for (i=0; imaxx) maxx=p.p[3*i]; if (p.p[3*i+1]maxy) maxy=p.p[3*i+1]; if (p.p[3*i+2]maxz) maxz=p.p[3*i+2]; } rangex=maxx-minx; rangey=maxy-miny; rangez=maxz-minz; if (rangextime = inter->edge = inter->in_out=0; inter->v = inter->normal = coords_set(0,0,1); if (fabs(ndir) < 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 (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] 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 ************************************************************* 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; //unsigned long vtxSize=vtxTable.rows, faceSize=faceTable.columns; //Size of the corresponding tables char sg[vtxSize]; //array telling if vertex is left or right of the plane MCNUM popol[3*CHAR_BUF_LENGTH]; unsigned long i=0,indPoly=0; for (i=0; i < vtxSize; ++i) { sg[i]=off_sign(off_F(vtxArray[i].x,vtxArray[i].y,vtxArray[i].z,A1,0,C1,D1)); } //exploring the polygons : i=indPoly=0; while (iCHAR_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; ktime - 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 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->faceArray = faceArray; data->vtxSize = vtxSize; data->polySize = polySize; data->faceSize = faceSize; data->filename = offfile; return(polySize); } /* off_init */ /******************************************************************************* * int off_intersect_all(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 polyhedra 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 *******************************************************************************/ int off_intersect_all(double* t0, double* t3, Coords *n0, Coords *n3, double x, double y, double z, double vx, double vy, double vz, off_struct *data ) { Coords A={x, y, z}; Coords B={x+vx, y+vy, z+vz}; int t_size=off_clip_3D_mod(data->intersects, A, B, data->vtxArray, data->vtxSize, data->faceArray, data->faceSize, data->normalArray ); qsort(data->intersects, t_size, sizeof(intersection), off_compare); 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 */ return t_size; } 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 polyhedra 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, off_struct data ) { return off_intersect_all(t0, t3, n0, n3, x, y, z, vx, vy, vz, &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 polyhedra 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,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) { unsigned int i; double ratio=(double)(N_VERTEX_DISPLAYED)/(double)data.faceSize; unsigned int pixel=0; for (i=0; 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 */ /* Declare structures and functions only once in each instrument. */ #ifndef POWDERN_DECL #define POWDERN_DECL /* format definitions in the order {j d F2 DW Dd inv2d q F strain} */ #ifndef Crystallographica #define Crystallographica { 4,5,7,0,0,0,0,0,0 } #define Fullprof { 4,0,8,0,0,5,0,0,0 } #define Lazy {17,6,0,0,0,0,0,13,0 } #define Undefined { 0,0,0,0,0,0,0,0,0 } #endif struct line_data { double F2; /* Value of structure factor */ double q; /* Qvector */ int j; /* Multiplicity */ double DWfactor; /* Debye-Waller factor */ double w; /* Intrinsic line width */ double Epsilon; /* Strain=delta_d_d/d shift in ppm */ }; struct line_info_struct { struct line_data *list; /* Reflection array */ int count; /* Number of reflections */ double Dd; double DWfactor; double V_0; double rho; double at_weight; double at_nb; double sigma_a; double sigma_i; char compname[256]; double flag_barns; int shape; /* 0 cylinder, 1 box, 2 sphere, 3 OFF file */ int column_order[9]; /* column signification */ int flag_warning; char type; /* interaction type of event t=Transmit, i=Incoherent, c=Coherent */ double dq; /* wavevector transfer [Angs-1] */ double Epsilon; /* global strain in ppm */ double XsectionFactor; double my_s_v2_sum; double my_a_v; double my_inc; double *w_v,*q_v, *my_s_v2; double radius_i,xwidth_i,yheight_i,zdepth_i; double v; /* last velocity (cached) */ double Nq; int nb_reuses, nb_refl, nb_refl_count; double v_min, v_max; double xs_Nq[CHAR_BUF_LENGTH]; double xs_sum[CHAR_BUF_LENGTH]; double neutron_passed; long xs_compute, xs_reuse, xs_calls; }; off_struct offdata; // PN_list_compare ***************************************************************** int PN_list_compare (void const *a, void const *b) { struct line_data const *pa = a; struct line_data const *pb = b; double s = pa->q - pb->q; if (!s) return 0; else return (s < 0 ? -1 : 1); } /* PN_list_compare */ int read_line_data(char *SC_file, struct line_info_struct *info) { struct line_data *list = NULL; int size = 0; t_Table sTable; /* sample data table structure from SC_file */ int i=0; int mult_count =0; char flag=0; double q_count=0, j_count=0, F2_count=0; char **parsing; int list_count=0; if (!SC_file || !strlen(SC_file) || !strcmp(SC_file, "NULL")) { MPI_MASTER( printf("PowderN: %s: Using incoherent elastic scattering only.\n", info->compname); ); info->count = 0; return(0); } Table_Read(&sTable, SC_file, 1); /* read 1st block data from SC_file into sTable*/ /* parsing of header */ parsing = Table_ParseHeader(sTable.header, "Vc","V_0", "sigma_abs","sigma_a ", "sigma_inc","sigma_i ", "column_j", "column_d", "column_F2", "column_DW", "column_Dd", "column_inv2d", "column_1/2d", "column_sintheta/lambda", "column_q", /* 14 */ "DW", "Debye_Waller", "delta_d_d/d", "column_F ", "V_rho", "density", "weight", "nb_atoms","multiplicity", /* 23 */ "column_ppm","column_strain", NULL); if (parsing) { if (parsing[0] && !info->V_0) info->V_0 =atof(parsing[0]); if (parsing[1] && !info->V_0) info->V_0 =atof(parsing[1]); if (parsing[2] && !info->sigma_a) info->sigma_a=atof(parsing[2]); if (parsing[3] && !info->sigma_a) info->sigma_a=atof(parsing[3]); if (parsing[4] && !info->sigma_i) info->sigma_i=atof(parsing[4]); if (parsing[5] && !info->sigma_i) info->sigma_i=atof(parsing[5]); if (parsing[6]) info->column_order[0]=atoi(parsing[6]); if (parsing[7]) info->column_order[1]=atoi(parsing[7]); if (parsing[8]) info->column_order[2]=atoi(parsing[8]); if (parsing[9]) info->column_order[3]=atoi(parsing[9]); if (parsing[10]) info->column_order[4]=atoi(parsing[10]); if (parsing[11]) info->column_order[5]=atoi(parsing[11]); if (parsing[12]) info->column_order[5]=atoi(parsing[12]); if (parsing[13]) info->column_order[5]=atoi(parsing[13]); if (parsing[14]) info->column_order[6]=atoi(parsing[14]); if (parsing[15] && info->DWfactor<=0) info->DWfactor=atof(parsing[15]); if (parsing[16] && info->DWfactor<=0) info->DWfactor=atof(parsing[16]); if (parsing[17] && info->Dd <0) info->Dd =atof(parsing[17]); if (parsing[18]) info->column_order[7]=atoi(parsing[18]); if (parsing[19] && !info->V_0) info->V_0 =1/atof(parsing[19]); if (parsing[20] && !info->rho) info->rho =atof(parsing[20]); if (parsing[21] && !info->at_weight) info->at_weight =atof(parsing[21]); if (parsing[22] && info->at_nb <= 1) info->at_nb =atof(parsing[22]); if (parsing[23] && info->at_nb <= 1) info->at_nb =atof(parsing[23]); if (parsing[24]) info->column_order[8]=atoi(parsing[24]); if (parsing[25]) info->column_order[8]=atoi(parsing[25]); for (i=0; i<=25; i++) if (parsing[i]) free(parsing[i]); free(parsing); } if (!sTable.rows) exit(fprintf(stderr, "PowderN: %s: Error: The number of rows in %s " "should be at least %d\n", info->compname, SC_file, 1)); else size = sTable.rows; MPI_MASTER( Table_Info(sTable); printf("PowderN: %s: Reading %d rows from %s\n", info->compname, size, SC_file); ); if (info->column_order[0] == 4 && info->flag_barns !=0) MPI_MASTER( printf("PowderN: %s: Powder file probably of type Crystallographica/Fullprof (lau)\n" "WARNING: but F2 unit is set to barns=1 (barns). Intensity might be 100 times too high.\n", info->compname); ); if (info->column_order[0] == 17 && info->flag_barns == 0) MPI_MASTER( printf("PowderN: %s: Powder file probably of type Lazy Pulver (laz)\n" "WARNING: but F2 unit is set to barns=0 (fm^2). Intensity might be 100 times too low.\n", info->compname); ); /* allocate line_data array */ list = (struct line_data*)malloc(size*sizeof(struct line_data)); for (i=0; iDd >= 0) w = info->Dd; if (info->DWfactor > 0) DWfactor = info->DWfactor; if (info->Epsilon) Epsilon = info->Epsilon*1e-6; /* get data from table using columns {j d F2 DW Dd inv2d q F} */ /* column indexes start at 1, thus need to substract 1 */ if (info->column_order[0] >0) j = Table_Index(sTable, i, info->column_order[0]-1); if (info->column_order[1] >0) d = Table_Index(sTable, i, info->column_order[1]-1); if (info->column_order[2] >0) F2 = Table_Index(sTable, i, info->column_order[2]-1); if (info->column_order[3] >0) DWfactor = Table_Index(sTable, i, info->column_order[3]-1); if (info->column_order[4] >0) w = Table_Index(sTable, i, info->column_order[4]-1); if (info->column_order[5] >0) { d = Table_Index(sTable, i, info->column_order[5]-1); d = (d > 0? 1/d/2 : 0); } if (info->column_order[6] >0) { q = Table_Index(sTable, i, info->column_order[6]-1); d = (q > 0 ? 2*PI/q : 0); } if (info->column_order[7] >0 && !F2) { F2 = Table_Index(sTable, i, info->column_order[7]-1); F2 *= F2; } if (info->column_order[8] >0 && !Epsilon) { Epsilon = Table_Index(sTable, i, info->column_order[8]-1)*1e-6; } /* assign and check values */ j = (j > 0 ? j : 0); q = (d > 0 ? 2*PI/d : 0); /* this is q */ if (Epsilon && fabs(Epsilon) < 1e6) { q -= Epsilon*q; /* dq/q = -delta_d_d/d = -Epsilon */ } DWfactor = (DWfactor > 0 ? DWfactor : 1); w = (w>0 ? w : 0); /* this is q and d relative spreading */ F2 = (F2 >= 0 ? F2 : 0); if (j == 0 || q == 0) { MPI_MASTER( printf("PowderN: %s: line %i has invalid definition\n" " (mult=0 or q=0 or d=0)\n", info->compname, i); ); continue; } list[list_count].j = j; list[list_count].q = q; list[list_count].DWfactor = DWfactor; list[list_count].w = w; list[list_count].F2= F2; list[list_count].Epsilon = Epsilon; /* adjust multiplicity if j-column + multiple d-spacing lines */ /* if d = previous d, increase line duplication index */ if (!q_count) q_count = q; if (!j_count) j_count = j; if (!F2_count) F2_count = F2; if (fabs(q_count-q) < 0.0001*fabs(q) && fabs(F2_count-F2) < 0.0001*fabs(F2) && j_count == j) { mult_count++; flag=0; } else flag=1; if (i == size-1) flag=1; /* else if d != previous d : just passed equivalent lines */ if (flag) { if (i == size-1) list_count++; /* if duplication index == previous multiplicity */ /* set back multiplicity of previous lines to 1 */ if ((mult_count && list_count>0) && (mult_count == list[list_count-1].j || ((list_count < size) && (i == size - 1) && (mult_count == list[list_count].j))) ) { MPI_MASTER( printf("PowderN: %s: Set multiplicity to 1 for lines [%i:%i]\n" " (d-spacing %g is duplicated %i times)\n", info->compname, list_count-mult_count, list_count-1, list[list_count-1].q, mult_count); ); for (index=list_count-mult_count; indexcompname, list_count, SC_file); ); info->list = list; info->count = list_count; return(list_count); } /* read_line_data */ /* computes the number of possible reflections (return value), and the total xsection 'sum' */ /* this routine looks for a pre-computed value in the Nq and sum cache tables */ /* when found, the earch starts from the corresponding lower element in the table */ int calc_xsect(double v, double *qv, double *my_sv2, int count, double *sum, struct line_info_struct *line_info) { int Nq = 0, line=0, line0=0; *sum=0; /* check if a line_info element has been recorded already */ if (v >= line_info->v_min && v <= line_info->v_max && line_info->neutron_passed >= CHAR_BUF_LENGTH) { line = (int)floor(v - line_info->v_min)*CHAR_BUF_LENGTH/(line_info->v_max - line_info->v_min); Nq = line_info->xs_Nq[line]; *sum = line_info->xs_sum[line]; if (!Nq && *sum == 0) { /* not yet set: we compute the sum up to the corresponding speed in the table cache */ double line_v = line_info->v_min + line*(line_info->v_max - line_info->v_min)/CHAR_BUF_LENGTH; for(line0=0; line0xs_Nq[line] = Nq; line_info->xs_sum[line]= *sum; line_info->xs_compute++; } else line_info->xs_reuse++; line0 = Nq - 1; } line_info->xs_calls++; for(line=line0; line 0 && yheight) line_info.shape=0; /* cylinder */ else if (radius > 0 && !yheight) line_info.shape=2; /* sphere */ if (line_info.shape < 0) exit(fprintf(stderr,"PowderN: %s: sample has invalid dimensions.\n" "ERROR Please check parameter values (xwidth, yheight, zdepth, radius).\n", NAME_CURRENT_COMP)); if (thickness) { if (radius && (radius < fabs(thickness))) { MPI_MASTER( printf("PowderN: %s: hollow sample thickness is larger than its volume (sphere/cylinder).\n" "WARNING Please check parameter values. Using bulk sample (thickness=0).\n", NAME_CURRENT_COMP); ); thickness=0; } else if (!radius && (xwidth < 2*fabs(thickness) || yheight < 2*fabs(thickness) || zdepth < 2*fabs(thickness))) { MPI_MASTER( printf("PowderN: %s: hollow sample thickness is larger than its volume (box).\n" "WARNING Please check parameter values.\n", NAME_CURRENT_COMP); ); } } if (concentric && thickness==0) { MPI_MASTER( printf("PowderN: %s:Can not use concentric mode\n" "WARNING on non hollow shape. Ignoring.\n", NAME_CURRENT_COMP); ); concentric=0; } if (thickness>0) { if (radius>thickness) { line_info.radius_i=radius-thickness; } else { if (xwidth>2*thickness) line_info.xwidth_i =xwidth -2*thickness; if (yheight>2*thickness) line_info.yheight_i=yheight-2*thickness; if (zdepth>2*thickness) line_info.zdepth_i =zdepth -2*thickness; } } else if (thickness<0) { thickness = fabs(thickness); if (radius) { line_info.radius_i=radius; radius=line_info.radius_i+thickness; } else { line_info.xwidth_i =xwidth; line_info.yheight_i=yheight; line_info.zdepth_i =zdepth; xwidth =xwidth +2*thickness; yheight =yheight+2*thickness; zdepth =zdepth +2*thickness; } } if (!line_info.yheight_i) { line_info.yheight_i = yheight; } if (p_interact) { if (p_interact < p_inc) { double tmp=p_interact; p_interact=p_inc; p_inc=tmp; } p_transmit = 1-p_interact-p_inc; } if (p_inc + p_transmit > 1) { MPI_MASTER( printf("PowderN: %s: You have requested an unmeaningful choice of the 'p_inc' and 'p_transmit' parameters (sum is %g, exeeding 1). Fixing.\n", NAME_CURRENT_COMP, p_inc+p_transmit); ); if (p_inc > p_transmit) p_transmit=1-2*p_inc; else p_transmit=1-2*p_inc; } else if (p_inc + p_transmit == 1) { MPI_MASTER( printf("PowderN: %s: You have requested all neutrons be attenuated\n" "WARNING or incoherently scattered!\n", NAME_CURRENT_COMP); ); } if (concentric) { MPI_MASTER( printf("PowderN: %s: Concentric mode - remember to include the 'opposite' copy of this component !\n" "WARNING The equivalent, 'opposite' comp should have concentric=0\n", NAME_CURRENT_COMP); ); if (p_transmit == 0) { MPI_MASTER( printf("PowderN: %s: Concentric mode and p_transmit==0 !?\n" "WARNING Don't you want any transmitted neutrons?\n", NAME_CURRENT_COMP); ); } } if (reflections && strlen(reflections) && strcmp(reflections, "NULL") && strcmp(reflections, "0")) { i = read_line_data(reflections, &line_info); if (i == 0) exit(fprintf(stderr,"PowderN: %s: reflection file %s is not valid.\n" "ERROR Please check file format (laz or lau).\n", NAME_CURRENT_COMP, reflections)); } /* compute the scattering unit density from material weight and density */ /* the weight of the scattering element is the chemical formula molecular weight * times the nb of chemical formulae in the scattering element (nb_atoms) */ if (!line_info.V_0 && line_info.at_nb > 0 && line_info.at_weight > 0 && line_info.rho > 0) { /* 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 */ line_info.V_0 = line_info.at_nb /(line_info.rho/line_info.at_weight/1e24*6.02214199e23); } /* the scattering unit cross sections are the chemical formula onces * times the nb of chemical formulae in the scattering element */ if (line_info.at_nb > 0) { line_info.sigma_a *= line_info.at_nb; line_info.sigma_i *= line_info.at_nb; } if (line_info.sigma_a<0) line_info.sigma_a=0; if (line_info.sigma_i<0) line_info.sigma_i=0; if (line_info.V_0 <= 0) MPI_MASTER( printf("PowderN: %s: density/unit cell volume is NULL (Vc). Unactivating component.\n", NAME_CURRENT_COMP); ); if (line_info.V_0 > 0 && p_inc && !line_info.sigma_i) { MPI_MASTER( printf("PowderN: %s: WARNING: You have requested statistics for incoherent scattering but not defined sigma_inc!\n", NAME_CURRENT_COMP); ); } if (line_info.flag_barns) { /* Factor 100 to convert from barns to fm^2 */ line_info.XsectionFactor = 100; } else { line_info.XsectionFactor = 1; } if (line_info.V_0 > 0 && i) { L = line_info.list; line_info.q_v = malloc(line_info.count*sizeof(double)); line_info.w_v = malloc(line_info.count*sizeof(double)); line_info.my_s_v2 = malloc(line_info.count*sizeof(double)); if (!line_info.q_v || !line_info.w_v || !line_info.my_s_v2) exit(fprintf(stderr,"PowderN: %s: ERROR allocating memory (init)\n", NAME_CURRENT_COMP)); for(i=0; i 0) { /* Is not yet divided by v */ line_info.my_a_v = pack*line_info.sigma_a/line_info.V_0*2200*100; // Factor 100 to convert from barns to fm^2 line_info.my_inc = pack*line_info.sigma_i/line_info.V_0*100; // Factor 100 to convert from barns to fm^2 MPI_MASTER( printf("PowderN: %s: Vc=%g [Angs] sigma_abs=%g [barn] sigma_inc=%g [barn] reflections=%s\n", NAME_CURRENT_COMP, line_info.V_0, line_info.sigma_a, line_info.sigma_i, reflections && strlen(reflections) ? reflections : "NULL"); ); } } #line 8704 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" #undef Strain #undef barns #undef weight #undef density #undef concentric #undef p_interact #undef d_phi #undef nb_atoms #undef DW #undef p_transmit #undef p_inc #undef delta_d_d #undef sigma_inc #undef sigma_abs #undef Vc #undef pack #undef thickness #undef zdepth #undef xwidth #undef yheight #undef radius #undef geometry #undef reflections #undef offdata #undef columns #undef line_info #undef format #undef mccompcurname #undef mccompcurtype #undef mccompcurindex /* Initializations for component PSD. */ SIG_MESSAGE("PSD (Init)"); #define mccompcurname PSD #define mccompcurtype PSD_monitor #define mccompcurindex 4 #define nx mccPSD_nx #define ny mccPSD_ny #define PSD_N mccPSD_PSD_N #define PSD_p mccPSD_PSD_p #define PSD_p2 mccPSD_PSD_p2 #define filename mccPSD_filename #define xmin mccPSD_xmin #define xmax mccPSD_xmax #define ymin mccPSD_ymin #define ymax mccPSD_ymax #define xwidth mccPSD_xwidth #define yheight mccPSD_yheight #define restore_neutron mccPSD_restore_neutron #line 63 "/Applications/McStas-2.4rc0.app/Contents/Resources/mcstas/2.4rc0/monitors/PSD_monitor.comp" { int i,j; if (xwidth > 0) { xmax = xwidth/2; xmin = -xmax; } if (yheight > 0) { ymax = yheight/2; ymin = -ymax; } if ((xmin >= xmax) || (ymin >= ymax)) { printf("PSD_monitor: %s: Null detection area !\n" "ERROR (xwidth,yheight,xmin,xmax,ymin,ymax). Exiting", NAME_CURRENT_COMP); exit(0); } for (i=0; i= 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; fprintf(stdout, "\nTrace ETA "); 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); } 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)) ) { fprintf(stdout, "%d ", (int)(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) mcsave(NULL); } } #line 8947 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" } /* End of Origin=Progress_bar() SETTING parameter declarations. */ #undef CurrentTime #undef EndTime #undef StartTime #undef IntermediateCnts #undef mccompcurname #undef mccompcurtype #undef mccompcurindex /* Label for restoring neutron */ mcabsorbCompOrigin: if (RESTORE) /* restore if needed */ { RESTORE_NEUTRON(1, mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, mcnlt, mcnlsx, mcnlsy, mcnlsz, mcnlp); } #undef mcabsorbComp #undef p #undef sz #undef sy #undef sx #undef t #undef vz #undef vy #undef vx #undef z #undef y #undef x mcDEBUG_STATE( mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, mcnlt, mcnlsx, mcnlsy, mcnlsz, mcnlp) /* TRACE Component Source [2] */ mccoordschange(mcposrSource, mcrotrSource, &mcnlx, &mcnly, &mcnlz, &mcnlvx, &mcnlvy, &mcnlvz, &mcnlsx, &mcnlsy, &mcnlsz); /* define label inside component Source (without coords transformations) */ mcJumpTrace_Source: SIG_MESSAGE("Source (Trace)"); mcDEBUG_COMP("Source") mcDEBUG_STATE( mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, mcnlt, mcnlsx, mcnlsy, mcnlsz, mcnlp) #define x mcnlx #define y mcnly #define z mcnlz #define vx mcnlvx #define vy mcnlvy #define vz mcnlvz #define t mcnlt #define sx mcnlsx #define sy mcnlsy #define sz mcnlsz #define p mcnlp #define mcabsorbComp mcabsorbCompSource STORE_NEUTRON(2, mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, mcnlt, mcnlsx, mcnlsy, mcnlsz, mcnlp); mcScattered=0; mcRestore=0; mcNCounter[2]++; mcPCounter[2] += p; mcP2Counter[2] += p*p; #define mccompcurname Source #define mccompcurtype Source_simple #define mccompcurindex 2 #define pmul mccSource_pmul #define square mccSource_square #define srcArea mccSource_srcArea { /* Declarations of Source=Source_simple() SETTING parameters. */ MCNUM radius = mccSource_radius; MCNUM yheight = mccSource_yheight; MCNUM xwidth = mccSource_xwidth; MCNUM dist = mccSource_dist; MCNUM focus_xw = mccSource_focus_xw; MCNUM focus_yh = mccSource_focus_yh; MCNUM E0 = mccSource_E0; MCNUM dE = mccSource_dE; MCNUM lambda0 = mccSource_lambda0; MCNUM dlambda = mccSource_dlambda; MCNUM flux = mccSource_flux; MCNUM gauss = mccSource_gauss; int target_index = mccSource_target_index; #line 127 "/Applications/McStas-2.4rc0.app/Contents/Resources/mcstas/2.4rc0/sources/Source_simple.comp" { double chi,E,lambda,v,r, xf, yf, rf, dx, dy, pdir; t=0; z=0; if (square == 1) { x = xwidth * (rand01() - 0.5); y = yheight * (rand01() - 0.5); } else { chi=2*PI*rand01(); /* Choose point on source */ r=sqrt(rand01())*radius; /* with uniform distribution. */ x=r*cos(chi); y=r*sin(chi); } randvec_target_rect_real(&xf, &yf, &rf, &pdir, 0, 0, dist, focus_xw, focus_yh, ROT_A_CURRENT_COMP, x, y, z, 2); dx = xf-x; dy = yf-y; rf = sqrt(dx*dx+dy*dy+dist*dist); p = pdir*pmul; if(lambda0==0) { if (!gauss) { E=E0+dE*randpm1(); /* Choose from uniform distribution */ } else { E=E0+randnorm()*dE; } v=sqrt(E)*SE2V; } else { if (!gauss) { lambda=lambda0+dlambda*randpm1(); } else { lambda=lambda0+randnorm()*dlambda; } v = K2V*(2*PI/lambda); } vz=v*dist/rf; vy=v*dy/rf; vx=v*dx/rf; } #line 9118 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" } /* End of Source=Source_simple() SETTING parameter declarations. */ #undef srcArea #undef square #undef pmul #undef mccompcurname #undef mccompcurtype #undef mccompcurindex /* Label for restoring neutron */ mcabsorbCompSource: if (RESTORE) /* restore if needed */ { RESTORE_NEUTRON(2, mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, mcnlt, mcnlsx, mcnlsy, mcnlsz, mcnlp); } #undef mcabsorbComp #undef p #undef sz #undef sy #undef sx #undef t #undef vz #undef vy #undef vx #undef z #undef y #undef x mcDEBUG_STATE( mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, mcnlt, mcnlsx, mcnlsy, mcnlsz, mcnlp) /* TRACE Component Sample [3] */ mccoordschange(mcposrSample, mcrotrSample, &mcnlx, &mcnly, &mcnlz, &mcnlvx, &mcnlvy, &mcnlvz, &mcnlsx, &mcnlsy, &mcnlsz); /* define label inside component Sample (without coords transformations) */ mcJumpTrace_Sample: SIG_MESSAGE("Sample (Trace)"); mcDEBUG_COMP("Sample") mcDEBUG_STATE( mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, mcnlt, mcnlsx, mcnlsy, mcnlsz, mcnlp) #define x mcnlx #define y mcnly #define z mcnlz #define vx mcnlvx #define vy mcnlvy #define vz mcnlvz #define t mcnlt #define sx mcnlsx #define sy mcnlsy #define sz mcnlsz #define p mcnlp #define mcabsorbComp mcabsorbCompSample STORE_NEUTRON(3, mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, mcnlt, mcnlsx, mcnlsy, mcnlsz, mcnlp); mcScattered=0; mcRestore=0; mcNCounter[3]++; mcPCounter[3] += p; mcP2Counter[3] += p*p; #define mccompcurname Sample #define mccompcurtype PowderN #define mccompcurindex 3 #define format mccSample_format #define line_info mccSample_line_info #define columns mccSample_columns #define offdata mccSample_offdata { /* Declarations of Sample=PowderN() SETTING parameters. */ char* reflections = mccSample_reflections; char* geometry = mccSample_geometry; MCNUM radius = mccSample_radius; MCNUM yheight = mccSample_yheight; MCNUM xwidth = mccSample_xwidth; MCNUM zdepth = mccSample_zdepth; MCNUM thickness = mccSample_thickness; MCNUM pack = mccSample_pack; MCNUM Vc = mccSample_Vc; MCNUM sigma_abs = mccSample_sigma_abs; MCNUM sigma_inc = mccSample_sigma_inc; MCNUM delta_d_d = mccSample_delta_d_d; MCNUM p_inc = mccSample_p_inc; MCNUM p_transmit = mccSample_p_transmit; MCNUM DW = mccSample_DW; MCNUM nb_atoms = mccSample_nb_atoms; MCNUM d_phi = mccSample_d_phi; MCNUM p_interact = mccSample_p_interact; MCNUM concentric = mccSample_concentric; MCNUM density = mccSample_density; MCNUM weight = mccSample_weight; MCNUM barns = mccSample_barns; MCNUM Strain = mccSample_Strain; #line 756 "/Applications/McStas-2.4rc0.app/Contents/Resources/mcstas/2.4rc0/samples/PowderN.comp" { double t0, t1, t2, t3, v, v1,l_full, l, l_1, dt, alpha0, alpha, theta, my_s, my_s_n; double solid_angle, neutrontype; double arg, tmp_vx, tmp_vy, tmp_vz, vout_x, vout_y, vout_z, nx, ny, nz, pmul=1; int line; char intersect=0; char intersecti=0; line_info.type = '\0'; if (line_info.V_0 > 0 && (line_info.count || line_info.my_inc)) { if (line_info.shape == 1) { intersect = box_intersect(&t0, &t3, x, y, z, vx, vy, vz, xwidth, yheight, zdepth); intersecti = box_intersect(&t1, &t2, x, y, z, vx, vy, vz, line_info.xwidth_i, line_info.yheight_i, line_info.zdepth_i); } else if (line_info.shape == 0) { intersect = cylinder_intersect(&t0, &t3, x, y, z, vx, vy, vz, radius, yheight); intersecti = cylinder_intersect(&t1, &t2, x, y, z, vx, vy, vz, line_info.radius_i, line_info.yheight_i); } else if (line_info.shape == 2) { intersect = sphere_intersect (&t0, &t3, x,y,z, vx,vy,vz, radius); intersecti = sphere_intersect (&t1, &t2, x,y,z, vx,vy,vz, line_info.radius_i); } else if (line_info.shape == 3) { intersect = off_intersect (&t0, &t3, NULL, NULL, x,y,z, vx,vy,vz, offdata); intersecti = 0; } } if(intersect && t3 >0) { if (concentric) { /* Set up for concentric case */ /* 'Remove' the backside of this comp */ if (!intersecti) { t1 = (t3 + t0) /2; } t2 = t1; t3 = t1; dt = -1.0*rand01(); /* In case of scattering we will scatter on 'forward' part of sample */ } else { if (!intersecti) { t1 = (t3 + t0) /2; t2 = t1; } dt = randpm1(); /* Possibility to scatter at all points in line of sight */ } /* Neutron enters at t=t0. */ if(t0 < 0) t0=0; /* already in sample */ if(t1 < 0) t1=0; /* already in inner hollow */ if(t2 < 0) t2=0; /* already past inner hollow */ v = sqrt(vx*vx + vy*vy + vz*vz); l_full = v * (t3 - t2 + t1 - t0); if (line_info.neutron_passed < CHAR_BUF_LENGTH) { if (v < line_info.v_min) line_info.v_min = v; if (v > line_info.v_max) line_info.v_max = v; line_info.neutron_passed++; } /* Calculate total scattering cross section at relevant velocity */ if ( fabs(v - line_info.v) < 1e-6) { line_info.nb_reuses++; } else { line_info.Nq = calc_xsect(v, line_info.q_v, line_info.my_s_v2, line_info.count, &line_info.my_s_v2_sum, &line_info); line_info.v = v; line_info.nb_refl += line_info.Nq; line_info.nb_refl_count++; } if (t3 < 0) { t3=0; /* Already past sample?! */ if (line_info.flag_warning < 100) printf("PowderN: %s: Warning: Neutron has already passed us? (Skipped).\n" " In concentric geometry, this may be caused by a missing concentric=0 option in 2nd enclosing instance.\n", NAME_CURRENT_COMP); line_info.flag_warning++; } else { if (dt<0) { /* Calculate scattering point position */ dt = fabs(dt)*(t1 - t0); /* 'Forward' part */ } else { dt = dt * (t3 - t2) + (t2-t0) ; /* Possibly also 'backside' part */ } my_s = line_info.my_s_v2_sum/(v*v)+line_info.my_inc; /* Total attenuation from scattering */ neutrontype = rand01(); /* How to handle this one? Transmit (1) / Incoherent (2) / Coherent (3) ? */ if (neutrontype < p_transmit) { neutrontype = 1; l = l_full; /* Passing through, full length */ PROP_DT(t3); } else if (neutrontype >= p_transmit && neutrontype < (p_transmit + p_inc)) { neutrontype = 2; l = v*dt; /* Penetration in sample */ PROP_DT(dt+t0); /* Point of scattering */ SCATTER; } else if (neutrontype >= p_transmit + p_inc) { neutrontype = 3; l = v*dt; /* Penetration in sample */ PROP_DT(dt+t0); /* Point of scattering */ SCATTER; } else { exit(fprintf(stderr,"PowderN %s: DEAD - this shouldn't happen!\n", NAME_CURRENT_COMP)); } if (neutrontype == 3) { /* Make coherent scattering event */ if (line_info.count > 0) { /* choose line */ if (line_info.Nq > 1) line=floor(line_info.Nq*rand01()); /* Select between Nq powder lines */ else line = 0; if (line_info.w_v[line]) arg = line_info.q_v[line]*(1+line_info.w_v[line]*randnorm())/(2.0*v); else arg = line_info.q_v[line]/(2.0*v); my_s_n = line_info.my_s_v2[line]/(v*v); if(fabs(arg) > 1) ABSORB; /* No bragg scattering possible*/ theta = asin(arg); /* Bragg scattering law */ /* Choose point on Debye-Scherrer cone */ if (d_phi) { /* relate height of detector to the height on DS cone */ arg = sin(d_phi*DEG2RAD/2)/sin(2*theta); /* If full Debye-Scherrer cone is within d_phi, don't focus */ if (arg < -1 || arg > 1) d_phi = 0; /* Otherwise, determine alpha to rotate from scattering plane into d_phi focusing area*/ else alpha = 2*asin(arg); } if (d_phi) { /* Focusing */ alpha = fabs(alpha); /* Trick to get scattering for pos/neg theta's */ alpha0= 2*rand01()*alpha; if (alpha0 > alpha) { alpha0=PI+(alpha0-1.5*alpha); } else { alpha0=alpha0-0.5*alpha; } } else alpha0 = PI*randpm1(); /* now find a nearly vertical rotation axis: * Either * (v along Z) x (X axis) -> nearly Y axis * Or * (v along X) x (Z axis) -> nearly Y axis */ if (fabs(scalar_prod(1,0,0,vx/v,vy/v,vz/v)) < fabs(scalar_prod(0,0,1,vx/v,vy/v,vz/v))) { nx = 1; ny = 0; nz = 0; } else { nx = 0; ny = 0; nz = 1; } vec_prod(tmp_vx,tmp_vy,tmp_vz, vx,vy,vz, nx,ny,nz); /* v_out = rotate 'v' by 2*theta around tmp_v: Bragg angle */ rotate(vout_x,vout_y,vout_z, vx,vy,vz, 2*theta, tmp_vx,tmp_vy,tmp_vz); /* tmp_v = rotate v_out by alpha0 around 'v' (Debye-Scherrer cone) */ rotate(tmp_vx,tmp_vy,tmp_vz, vout_x,vout_y,vout_z, alpha0, vx, vy, vz); vx = tmp_vx; vy = tmp_vy; vz = tmp_vz; /* Since now scattered and new direction given, calculate path to exit */ if (line_info.shape == 1) { intersect = box_intersect(&t0, &t3, x, y, z, vx, vy, vz, xwidth, yheight, zdepth); intersecti = box_intersect(&t1, &t2, x, y, z, vx, vy, vz, line_info.xwidth_i, line_info.yheight_i, line_info.zdepth_i); } else if (line_info.shape == 0) { intersect = cylinder_intersect(&t0, &t3, x, y, z, vx, vy, vz, radius, yheight); intersecti = cylinder_intersect(&t1, &t2, x, y, z, vx, vy, vz, line_info.radius_i, line_info.yheight_i); } else if (line_info.shape == 2) { intersect = sphere_intersect (&t0, &t3, x,y,z, vx,vy,vz, radius); intersecti = sphere_intersect (&t1, &t2, x,y,z, vx,vy,vz, line_info.radius_i); } else if (line_info.shape == 3) { intersect = off_intersect (&t0, &t3, NULL, NULL, x,y,z, vx,vy,vz, offdata); intersecti = 0; } if (!intersect) { /* Strange error: did not hit cylinder */ if (line_info.flag_warning < 100) printf("PowderN: %s: WARNING: Did not hit sample from inside (coh). ABSORB.\n", NAME_CURRENT_COMP); line_info.flag_warning++; ABSORB; } if (!intersecti) { t1 = (t3 + t0) /2; t2 = t1; } if (concentric && intersecti) { /* In case of concentricity, 'remove' backward wall of sample */ t2 = t1; t3 = t1; } if(t0 < 0) t0=0; /* already in sample */ if(t1 < 0) t1=0; /* already in inner hollow */ if(t2 < 0) t2=0; /* already past inner hollow */ l_1 = v*(t3 - t2 + t1 - t0); /* Length to exit */ pmul = line_info.Nq*l_full*my_s_n*exp(-(line_info.my_a_v/v+my_s)*(l+l_1)) /(1-(p_inc+p_transmit)); /* Correction in case of d_phi focusing - BUT only when d_phi != 0 */ if (d_phi) pmul *= alpha/PI; line_info.type = 'c'; line_info.dq = line_info.q_v[line]*V2K; } /* else transmit <-- No powder lines in file */ } /* Coherent scattering event */ else if (neutrontype == 2) { /* Make incoherent scattering event */ if(d_phi) { randvec_target_rect_angular(&vx, &vy, &vz, &solid_angle, 0, 0, 1, 2*PI, d_phi*DEG2RAD, ROT_A_CURRENT_COMP); } else { randvec_target_circle(&vx, &vy, &vz, &solid_angle, 0, 0, 1, 0); } v1 = sqrt(vx*vx+vy*vy+vz*vz); vx *= v/v1; vy *= v/v1; vz *= v/v1; /* Since now scattered and new direction given, calculate path to exit */ if (line_info.shape == 1) { intersect = box_intersect(&t0, &t3, x, y, z, vx, vy, vz, xwidth, yheight, zdepth); intersecti = box_intersect(&t1, &t2, x, y, z, vx, vy, vz, line_info.xwidth_i, line_info.yheight_i, line_info.zdepth_i); } else if (line_info.shape == 0) { intersect = cylinder_intersect(&t0, &t3, x, y, z, vx, vy, vz, radius, yheight); intersecti = cylinder_intersect(&t1, &t2, x, y, z, vx, vy, vz, line_info.radius_i, line_info.yheight_i); } else if (line_info.shape == 2) { intersect = sphere_intersect (&t0, &t3, x,y,z, vx,vy,vz, radius); intersecti = sphere_intersect (&t1, &t2, x,y,z, vx,vy,vz, line_info.radius_i); } else if (line_info.shape == 3) { intersect = off_intersect (&t0, &t3, NULL, NULL, x,y,z, vx,vy,vz, offdata); intersecti = 0; } if (!intersect) { /* Strange error: did not hit cylinder */ if (line_info.flag_warning < 100) printf("PowderN: %s: WARNING: Did not hit sample from inside (inc). ABSORB.\n", NAME_CURRENT_COMP); line_info.flag_warning++; ABSORB; } if (!intersecti) { t1 = (t3 + t0) /2; t2 = t1; } if (concentric && intersecti) { /* In case of concentricity, 'remove' backward wall of sample */ t2 = t1; t3 = t1; } if(t0 < 0) t0=0; /* already in sample */ if(t1 < 0) t1=0; /* already in inner hollow */ if(t2 < 0) t2=0; /* already past inner hollow */ l_1 = v*(t3 - t2 + t1 - t0); /* Length to exit */ pmul = l_full*line_info.my_inc*exp(-(line_info.my_a_v/v+my_s)*(l+l_1))/(p_inc); pmul *= solid_angle/(4*PI); line_info.type = 'i'; } /* Incoherent scattering event */ else if (neutrontype == 1) { /* Make transmitted (absorption-corrected) event */ /* No coodinate changes here, simply change neutron weight */ pmul = exp(-(line_info.my_a_v/v+my_s)*(l))/(p_transmit); line_info.type = 't'; } p *= pmul; } /* Neutron leaving since it has passed already */ } /* else transmit non interacting neutrons */ } #line 9542 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" } /* End of Sample=PowderN() SETTING parameter declarations. */ #undef offdata #undef columns #undef line_info #undef format #undef mccompcurname #undef mccompcurtype #undef mccompcurindex /* Label for restoring neutron */ mcabsorbCompSample: if (RESTORE) /* restore if needed */ { RESTORE_NEUTRON(3, mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, mcnlt, mcnlsx, mcnlsy, mcnlsz, mcnlp); } #undef mcabsorbComp #undef p #undef sz #undef sy #undef sx #undef t #undef vz #undef vy #undef vx #undef z #undef y #undef x mcDEBUG_STATE( mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, mcnlt, mcnlsx, mcnlsy, mcnlsz, mcnlp) /* TRACE Component PSD [4] */ mccoordschange(mcposrPSD, mcrotrPSD, &mcnlx, &mcnly, &mcnlz, &mcnlvx, &mcnlvy, &mcnlvz, &mcnlsx, &mcnlsy, &mcnlsz); /* define label inside component PSD (without coords transformations) */ mcJumpTrace_PSD: SIG_MESSAGE("PSD (Trace)"); mcDEBUG_COMP("PSD") mcDEBUG_STATE( mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, mcnlt, mcnlsx, mcnlsy, mcnlsz, mcnlp) #define x mcnlx #define y mcnly #define z mcnlz #define vx mcnlvx #define vy mcnlvy #define vz mcnlvz #define t mcnlt #define sx mcnlsx #define sy mcnlsy #define sz mcnlsz #define p mcnlp #define mcabsorbComp mcabsorbCompPSD STORE_NEUTRON(4, mcnlx, mcnly, mcnlz, mcnlvx, mcnlvy, mcnlvz, mcnlt, mcnlsx, mcnlsy, mcnlsz, mcnlp); mcScattered=0; mcRestore=0; mcNCounter[4]++; mcPCounter[4] += p; mcP2Counter[4] += p*p; #define mccompcurname PSD #define mccompcurtype PSD_monitor #define mccompcurindex 4 #define nx mccPSD_nx #define ny mccPSD_ny #define PSD_N mccPSD_PSD_N #define PSD_p mccPSD_PSD_p #define PSD_p2 mccPSD_PSD_p2 { /* Declarations of PSD=PSD_monitor() SETTING parameters. */ char* filename = mccPSD_filename; MCNUM xmin = mccPSD_xmin; MCNUM xmax = mccPSD_xmax; MCNUM ymin = mccPSD_ymin; MCNUM ymax = mccPSD_ymax; MCNUM xwidth = mccPSD_xwidth; MCNUM yheight = mccPSD_yheight; MCNUM restore_neutron = mccPSD_restore_neutron; #line 85 "/Applications/McStas-2.4rc0.app/Contents/Resources/mcstas/2.4rc0/monitors/PSD_monitor.comp" { int i,j; PROP_Z0; if (x>xmin && xymin && y 3600.0) fprintf(stdout, "%g [h] ", difftime(NowTime,StartTime)/3660.0); else fprintf(stdout, "%g [min] ", difftime(NowTime,StartTime)/60.0); fprintf(stdout, "\n"); } #line 9882 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" } /* End of Origin=Progress_bar() SETTING parameter declarations. */ #undef CurrentTime #undef EndTime #undef StartTime #undef IntermediateCnts #undef mccompcurname #undef mccompcurtype #undef mccompcurindex if (!mcNCounter[1]) fprintf(stderr, "Warning: No neutron could reach Component[1] Origin\n"); if (mcAbsorbProp[1]) fprintf(stderr, "Warning: %g events were removed in Component[1] Origin=Progress_bar()\n" " (negative time, miss next components, rounding errors, Nan, Inf).\n", mcAbsorbProp[1]); if (!mcNCounter[2]) fprintf(stderr, "Warning: No neutron could reach Component[2] Source\n"); if (mcAbsorbProp[2]) fprintf(stderr, "Warning: %g events were removed in Component[2] Source=Source_simple()\n" " (negative time, miss next components, rounding errors, Nan, Inf).\n", mcAbsorbProp[2]); /* User FINALLY code for component 'Sample'. */ SIG_MESSAGE("Sample (Finally)"); #define mccompcurname Sample #define mccompcurtype PowderN #define mccompcurindex 3 #define format mccSample_format #define line_info mccSample_line_info #define columns mccSample_columns #define offdata mccSample_offdata { /* Declarations of Sample=PowderN() SETTING parameters. */ char* reflections = mccSample_reflections; char* geometry = mccSample_geometry; MCNUM radius = mccSample_radius; MCNUM yheight = mccSample_yheight; MCNUM xwidth = mccSample_xwidth; MCNUM zdepth = mccSample_zdepth; MCNUM thickness = mccSample_thickness; MCNUM pack = mccSample_pack; MCNUM Vc = mccSample_Vc; MCNUM sigma_abs = mccSample_sigma_abs; MCNUM sigma_inc = mccSample_sigma_inc; MCNUM delta_d_d = mccSample_delta_d_d; MCNUM p_inc = mccSample_p_inc; MCNUM p_transmit = mccSample_p_transmit; MCNUM DW = mccSample_DW; MCNUM nb_atoms = mccSample_nb_atoms; MCNUM d_phi = mccSample_d_phi; MCNUM p_interact = mccSample_p_interact; MCNUM concentric = mccSample_concentric; MCNUM density = mccSample_density; MCNUM weight = mccSample_weight; MCNUM barns = mccSample_barns; MCNUM Strain = mccSample_Strain; #line 1045 "/Applications/McStas-2.4rc0.app/Contents/Resources/mcstas/2.4rc0/samples/PowderN.comp" { free(line_info.list); free(line_info.q_v); free(line_info.w_v); free(line_info.my_s_v2); MPI_MASTER( if (line_info.flag_warning) printf("PowderN: %s: Error messages were repeated %i times with absorbed neutrons.\n", NAME_CURRENT_COMP, line_info.flag_warning); /* in case this instance is used in a SPLIT, we can recommend the optimal iteration value */ if (line_info.nb_refl_count) { double split_iterations = (double)line_info.nb_reuses/line_info.nb_refl_count + 1; double split_optimal = (double)line_info.nb_refl/line_info.nb_refl_count; if (split_optimal > split_iterations + 5) printf("PowderN: %s: Info: you may highly improve the computation efficiency by using\n" " SPLIT %i COMPONENT %s=PowderN(...)\n" " in the instrument description %s.\n", NAME_CURRENT_COMP, (int)split_optimal, NAME_CURRENT_COMP, mcinstrument_source); } ); } #line 9954 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" } /* End of Sample=PowderN() SETTING parameter declarations. */ #undef offdata #undef columns #undef line_info #undef format #undef mccompcurname #undef mccompcurtype #undef mccompcurindex if (!mcNCounter[3]) fprintf(stderr, "Warning: No neutron could reach Component[3] Sample\n"); if (mcAbsorbProp[3]) fprintf(stderr, "Warning: %g events were removed in Component[3] Sample=PowderN()\n" " (negative time, miss next components, rounding errors, Nan, Inf).\n", mcAbsorbProp[3]); if (!mcNCounter[4]) fprintf(stderr, "Warning: No neutron could reach Component[4] PSD\n"); if (mcAbsorbProp[4]) fprintf(stderr, "Warning: %g events were removed in Component[4] PSD=PSD_monitor()\n" " (negative time, miss next components, rounding errors, Nan, Inf).\n", mcAbsorbProp[4]); mcsiminfo_close(); } /* end finally */ #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 void mcdisplay(void) { printf("MCDISPLAY: start\n"); /* Components MCDISPLAY code. */ /* MCDISPLAY code for component 'Origin'. */ SIG_MESSAGE("Origin (McDisplay)"); printf("MCDISPLAY: component %s\n", "Origin"); #define mccompcurname Origin #define mccompcurtype Progress_bar #define mccompcurindex 1 #define IntermediateCnts mccOrigin_IntermediateCnts #define StartTime mccOrigin_StartTime #define EndTime mccOrigin_EndTime #define CurrentTime mccOrigin_CurrentTime { /* Declarations of Origin=Progress_bar() SETTING parameters. */ char* profile = mccOrigin_profile; MCNUM percent = mccOrigin_percent; MCNUM flag_save = mccOrigin_flag_save; MCNUM minutes = mccOrigin_minutes; #line 150 "/Applications/McStas-2.4rc0.app/Contents/Resources/mcstas/2.4rc0/misc/Progress_bar.comp" { magnify(""); } #line 10000 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" } /* End of Origin=Progress_bar() SETTING parameter declarations. */ #undef CurrentTime #undef EndTime #undef StartTime #undef IntermediateCnts #undef mccompcurname #undef mccompcurtype #undef mccompcurindex /* MCDISPLAY code for component 'Source'. */ SIG_MESSAGE("Source (McDisplay)"); printf("MCDISPLAY: component %s\n", "Source"); #define mccompcurname Source #define mccompcurtype Source_simple #define mccompcurindex 2 #define pmul mccSource_pmul #define square mccSource_square #define srcArea mccSource_srcArea { /* Declarations of Source=Source_simple() SETTING parameters. */ MCNUM radius = mccSource_radius; MCNUM yheight = mccSource_yheight; MCNUM xwidth = mccSource_xwidth; MCNUM dist = mccSource_dist; MCNUM focus_xw = mccSource_focus_xw; MCNUM focus_yh = mccSource_focus_yh; MCNUM E0 = mccSource_E0; MCNUM dE = mccSource_dE; MCNUM lambda0 = mccSource_lambda0; MCNUM dlambda = mccSource_dlambda; MCNUM flux = mccSource_flux; MCNUM gauss = mccSource_gauss; int target_index = mccSource_target_index; #line 173 "/Applications/McStas-2.4rc0.app/Contents/Resources/mcstas/2.4rc0/sources/Source_simple.comp" { if (square == 1) { magnify("xy"); rectangle("xy",0,0,0,xwidth,yheight); } else { magnify("xy"); circle("xy",0,0,0,radius); } if (dist) { dashed_line(0,0,0, -focus_xw/2,-focus_yh/2,dist, 4); dashed_line(0,0,0, focus_xw/2,-focus_yh/2,dist, 4); dashed_line(0,0,0, focus_xw/2, focus_yh/2,dist, 4); dashed_line(0,0,0, -focus_xw/2, focus_yh/2,dist, 4); } } #line 10049 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" } /* End of Source=Source_simple() SETTING parameter declarations. */ #undef srcArea #undef square #undef pmul #undef mccompcurname #undef mccompcurtype #undef mccompcurindex /* MCDISPLAY code for component 'Sample'. */ SIG_MESSAGE("Sample (McDisplay)"); printf("MCDISPLAY: component %s\n", "Sample"); #define mccompcurname Sample #define mccompcurtype PowderN #define mccompcurindex 3 #define format mccSample_format #define line_info mccSample_line_info #define columns mccSample_columns #define offdata mccSample_offdata { /* Declarations of Sample=PowderN() SETTING parameters. */ char* reflections = mccSample_reflections; char* geometry = mccSample_geometry; MCNUM radius = mccSample_radius; MCNUM yheight = mccSample_yheight; MCNUM xwidth = mccSample_xwidth; MCNUM zdepth = mccSample_zdepth; MCNUM thickness = mccSample_thickness; MCNUM pack = mccSample_pack; MCNUM Vc = mccSample_Vc; MCNUM sigma_abs = mccSample_sigma_abs; MCNUM sigma_inc = mccSample_sigma_inc; MCNUM delta_d_d = mccSample_delta_d_d; MCNUM p_inc = mccSample_p_inc; MCNUM p_transmit = mccSample_p_transmit; MCNUM DW = mccSample_DW; MCNUM nb_atoms = mccSample_nb_atoms; MCNUM d_phi = mccSample_d_phi; MCNUM p_interact = mccSample_p_interact; MCNUM concentric = mccSample_concentric; MCNUM density = mccSample_density; MCNUM weight = mccSample_weight; MCNUM barns = mccSample_barns; MCNUM Strain = mccSample_Strain; #line 1071 "/Applications/McStas-2.4rc0.app/Contents/Resources/mcstas/2.4rc0/samples/PowderN.comp" { if (line_info.V_0) { magnify("xyz"); if (line_info.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 (line_info.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 (line_info.zdepth_i) { xmin = -0.5*line_info.xwidth_i; xmax = 0.5*line_info.xwidth_i; ymin = -0.5*line_info.yheight_i; ymax = 0.5*line_info.yheight_i; zmin = -0.5*line_info.zdepth_i; zmax = 0.5*line_info.zdepth_i; 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 (line_info.shape == 2) { /* sphere */ if (line_info.radius_i) { circle("xy",0,0,0,line_info.radius_i); circle("xz",0,0,0,line_info.radius_i); circle("yz",0,0,0,line_info.radius_i); } circle("xy",0,0,0,radius); circle("xz",0,0,0,radius); circle("yz",0,0,0,radius); } else if (line_info.shape == 3) { /* OFF file */ off_display(offdata); } } } #line 10169 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" } /* End of Sample=PowderN() SETTING parameter declarations. */ #undef offdata #undef columns #undef line_info #undef format #undef mccompcurname #undef mccompcurtype #undef mccompcurindex /* MCDISPLAY code for component 'PSD'. */ SIG_MESSAGE("PSD (McDisplay)"); printf("MCDISPLAY: component %s\n", "PSD"); #define mccompcurname PSD #define mccompcurtype PSD_monitor #define mccompcurindex 4 #define nx mccPSD_nx #define ny mccPSD_ny #define PSD_N mccPSD_PSD_N #define PSD_p mccPSD_PSD_p #define PSD_p2 mccPSD_PSD_p2 { /* Declarations of PSD=PSD_monitor() SETTING parameters. */ char* filename = mccPSD_filename; MCNUM xmin = mccPSD_xmin; MCNUM xmax = mccPSD_xmax; MCNUM ymin = mccPSD_ymin; MCNUM ymax = mccPSD_ymax; MCNUM xwidth = mccPSD_xwidth; MCNUM yheight = mccPSD_yheight; MCNUM restore_neutron = mccPSD_restore_neutron; #line 115 "/Applications/McStas-2.4rc0.app/Contents/Resources/mcstas/2.4rc0/monitors/PSD_monitor.comp" { magnify("xy"); 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); } #line 10208 "/Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c" } /* End of PSD=PSD_monitor() SETTING parameter declarations. */ #undef PSD_p2 #undef PSD_p #undef PSD_N #undef ny #undef nx #undef mccompcurname #undef mccompcurtype #undef mccompcurindex printf("MCDISPLAY: end\n"); } /* end display */ #undef magnify #undef line #undef dashed_line #undef multiline #undef rectangle #undef box #undef circle /* end of generated C code /Users/pkwi/Dropbox/Work/McStas-schools/ESS_May_2016/tmp/test.c */