/* * reintegrate.c * * Like "indexamajig", but skip the indexing step * * (c) 2006-2010 Thomas White * * Part of CrystFEL - crystallography with a FEL * */ #ifdef HAVE_CONFIG_H #include #endif #include #include #include #include #include #include #include #include #include #include "utils.h" #include "hdf5-file.h" #include "symmetry.h" #include "peaks.h" #include "stream.h" #include "index.h" #define MAX_THREADS (256) struct process_args { char *filename; int id; /* Thread control */ pthread_mutex_t control_mutex; /* Protects the scary stuff below */ int start; int finish; int done; UnitCell *cell; struct detector *det; pthread_mutex_t *output_mutex; /* Protects 'stdout' */ int config_cmfilter; int config_polar; int config_satcorr; int config_sa; int config_closer; int config_sanity; }; static void show_help(const char *s) { printf("Syntax: %s [options]\n\n", s); printf( "Like 'indexamajig', but skip the indexing step.\n" "\n" " -h, --help Display this help message.\n" "\n" " -i, --input= Specify the name of the input 'stream'.\n" " (must be a file, not e.g. stdin)\n" " -g. --geometry= Get detector geometry from file.\n" " -x, --prefix=

Prefix filenames from input file with

.\n" " --basename Remove the directory parts of the filenames.\n" " --no-check-prefix Don't attempt to correct the --prefix.\n" " --check-sanity Check that indexed locations approximately correspond\n" " with detected peaks.\n" " --filter-cm Perform common-mode noise subtraction on images\n" " before proceeding. Intensities will be extracted\n" " from the image as it is after this processing.\n" " --unpolarized Don't correct for the polarisation of the X-rays.\n" " --sat-corr Correct values of saturated peaks using a table\n" " included in the HDF5 file.\n" " --no-sa Don't correct for the differing solid angles of\n" " the pixels.\n" " --no-closer-peak Don't integrate from the location of a nearby peak\n" " instead of the position closest to the reciprocal\n" " lattice point.\n" " -j Run analyses in parallel.\n"); } static void process_image(struct process_args *pargs) { struct hdfile *hdfile; struct image image; image.features = NULL; image.data = NULL; image.flags = NULL; image.indexed_cell = NULL; image.id = pargs->id; image.filename = pargs->filename; image.hits = NULL; image.n_hits = 0; image.det = pargs->det; /* View head-on (unit cell is tilted) */ image.orientation.w = 1.0; image.orientation.x = 0.0; image.orientation.y = 0.0; image.orientation.z = 0.0; STATUS("Processing '%s'\n", pargs->filename); hdfile = hdfile_open(pargs->filename); if ( hdfile == NULL ) { return; } else if ( hdfile_set_first_image(hdfile, "/") ) { ERROR("Couldn't select path\n"); hdfile_close(hdfile); return; } hdf5_read(hdfile, &image, pargs->config_satcorr); map_all_peaks(&image); /* Sanity check */ if ( pargs->config_sanity && !peak_sanity_check(&image, image.indexed_cell, 1, 0.006e9) ) { STATUS("Failed peak sanity check.\n"); } else { output_intensities(&image, pargs->cell, pargs->output_mutex, pargs->config_polar, pargs->config_sa, pargs->config_closer, 0, 0.1); } free(image.data); cell_free(pargs->cell); if ( image.flags != NULL ) free(image.flags); hdfile_close(hdfile); } static void *worker_thread(void *pargsv) { struct process_args *pargs = pargsv; int finish; do { int wakeup; process_image(pargs); pthread_mutex_lock(&pargs->control_mutex); pargs->done = 1; pargs->start = 0; pthread_mutex_unlock(&pargs->control_mutex); /* Go to sleep until told to exit or process next image */ do { pthread_mutex_lock(&pargs->control_mutex); /* Either of these can result in the thread waking up */ wakeup = pargs->start || pargs->finish; finish = pargs->finish; pthread_mutex_unlock(&pargs->control_mutex); usleep(20000); } while ( !wakeup ); } while ( !pargs->finish ); return NULL; } static void integrate_all(int nthreads, struct detector *det, FILE *fh, int config_basename, const char *prefix, int config_cmfilter, int config_polar, int config_satcorr, int config_sa, int config_closer, int config_sanity) { pthread_t workers[MAX_THREADS]; struct process_args *worker_args[MAX_THREADS]; int worker_active[MAX_THREADS]; int i; int rval; pthread_mutex_t output_mutex = PTHREAD_MUTEX_INITIALIZER; /* Initialise worker arguments */ for ( i=0; ifilename = malloc(1024); worker_active[i] = 0; worker_args[i]->det = det; worker_args[i]->config_cmfilter = config_cmfilter; worker_args[i]->config_polar = config_polar; worker_args[i]->config_sanity = config_sanity; worker_args[i]->config_satcorr = config_satcorr; worker_args[i]->config_sa = config_sa; worker_args[i]->config_closer = config_closer; pthread_mutex_init(&worker_args[i]->control_mutex, NULL); worker_args[i]->output_mutex = &output_mutex; } /* Start threads off */ for ( i=0; ifilename, 1023, "%s%s", prefix, filename); pargs->cell = cell; free(filename); pthread_mutex_lock(&pargs->control_mutex); pargs->done = 0; pargs->start = 1; pargs->finish = 0; pthread_mutex_unlock(&pargs->control_mutex); worker_active[i] = 1; r = pthread_create(&workers[i], NULL, worker_thread, pargs); if ( r != 0 ) { worker_active[i] = 0; ERROR("Couldn't start thread %i\n", i); } } /* Keep threads busy until the end of the data */ do { int i; rval = 0; for ( i=0; icontrol_mutex); done = pargs->done; pthread_mutex_unlock(&pargs->control_mutex); if ( !done ) continue; /* Get the next filename */ rval = find_chunk(fh, &cell, &filename); if ( rval == 1 ) break; if ( config_basename ) { char *tmp; tmp = strdup(basename(filename)); free(filename); filename = tmp; } snprintf(pargs->filename, 1023, "%s%s", prefix, filename); pargs->cell = cell; free(filename); /* Wake the thread up ... */ pthread_mutex_lock(&pargs->control_mutex); pargs->done = 0; pargs->start = 1; pthread_mutex_unlock(&pargs->control_mutex); } } while ( rval == 0 ); /* Join threads */ for ( i=0; icontrol_mutex); pargs->finish = 1; pthread_mutex_unlock(&pargs->control_mutex); /* Wait for it to join */ pthread_join(workers[i], NULL); free: if ( worker_args[i]->filename != NULL ) { free(worker_args[i]->filename); } } } int main(int argc, char *argv[]) { int c; char *infile = NULL; char *geomfile = NULL; FILE *fh; char *prefix = NULL; int nthreads = 1; int config_basename = 0; int config_checkprefix = 1; int config_closer = 1; int config_polar = 1; int config_sanity = 0; int config_satcorr = 0; int config_sa = 1; int config_cmfilter = 0; struct detector *det; /* Long options */ const struct option longopts[] = { {"help", 0, NULL, 'h'}, {"input", 1, NULL, 'i'}, {"geometry", 1, NULL, 'g'}, {"prefix", 1, NULL, 'x'}, {"basename", 0, &config_basename, 1}, {"no-check-prefix", 0, &config_checkprefix, 0}, {"no-closer-peak", 0, &config_closer, 0}, {"unpolarized", 0, &config_polar, 0}, {"check-sanity", 0, &config_sanity, 1}, {"sat-corr", 0, &config_satcorr, 1}, {"no-sa", 0, &config_sa, 0}, {"filter-cm", 0, &config_cmfilter, 1}, {0, 0, NULL, 0} }; /* Short options */ while ((c = getopt_long(argc, argv, "hi:g:x:j:", longopts, NULL)) != -1) { switch (c) { case 'h' : show_help(argv[0]); return 0; case 'i' : infile = strdup(optarg); break; case 'g' : geomfile = strdup(optarg); break; case 'x' : prefix = strdup(optarg); break; case 'j' : nthreads = atoi(optarg); break; case 0 : break; default : return 1; } } if ( infile == NULL ) { infile = strdup("-"); } if ( strcmp(infile, "-") == 0 ) { fh = stdin; } else { fh = fopen(infile, "r"); } if ( fh == NULL ) { ERROR("Failed to open input file '%s'\n", infile); return 1; } free(infile); if ( prefix == NULL ) { prefix = strdup(""); } else { if ( config_checkprefix ) { prefix = check_prefix(prefix); } } det = get_detector_geometry(geomfile); if ( det == NULL ) { ERROR("Failed to read detector geometry from '%s'\n", geomfile); return 1; } free(geomfile); rewind(fh); integrate_all(nthreads, det, fh, config_basename, prefix, config_cmfilter, config_polar, config_satcorr, config_sa, config_closer, config_sanity); fclose(fh); free(prefix); return 0; }