diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/Makefile.am | 7 | ||||
| -rw-r--r-- | src/Makefile.in | 23 | ||||
| -rw-r--r-- | src/reintegrate.c | 447 |
3 files changed, 472 insertions, 5 deletions
diff --git a/src/Makefile.am b/src/Makefile.am index cbee354b..fa6a6f41 100644 --- a/src/Makefile.am +++ b/src/Makefile.am @@ -1,5 +1,6 @@ bin_PROGRAMS = pattern_sim process_hkl get_hkl indexamajig compare_hkl \ - powder_plot render_hkl calibrate_detector facetron cubeit + powder_plot render_hkl calibrate_detector facetron cubeit \ + reintegrate if HAVE_GTK bin_PROGRAMS += hdfsee @@ -64,4 +65,8 @@ cubeit_SOURCES = cubeit.c cell.c hdf5-file.c utils.c detector.c diffraction.c \ sfac.c render.c filters.c image.c symmetry.c cubeit_LDADD = @LIBS@ +reintegrate_SOURCES = reintegrate.c cell.c hdf5-file.c utils.c detector.c \ + peaks.c image.c diffraction.c sfac.c geometry.c +reintegrate_LDADD = @LIBS@ + INCLUDES = "-I$(top_srcdir)/data" diff --git a/src/Makefile.in b/src/Makefile.in index 1fce7c2d..81a5c34e 100644 --- a/src/Makefile.in +++ b/src/Makefile.in @@ -36,7 +36,7 @@ bin_PROGRAMS = pattern_sim$(EXEEXT) process_hkl$(EXEEXT) \ get_hkl$(EXEEXT) indexamajig$(EXEEXT) compare_hkl$(EXEEXT) \ powder_plot$(EXEEXT) render_hkl$(EXEEXT) \ calibrate_detector$(EXEEXT) facetron$(EXEEXT) cubeit$(EXEEXT) \ - $(am__EXEEXT_1) + reintegrate$(EXEEXT) $(am__EXEEXT_1) @HAVE_GTK_TRUE@am__append_1 = hdfsee @HAVE_OPENCL_TRUE@am__append_2 = diffraction-gpu.c cl-utils.c @HAVE_OPENCL_TRUE@am__append_3 = diffraction-gpu.c cl-utils.c @@ -121,6 +121,12 @@ am_process_hkl_OBJECTS = process_hkl.$(OBJEXT) sfac.$(OBJEXT) \ reflections.$(OBJEXT) symmetry.$(OBJEXT) process_hkl_OBJECTS = $(am_process_hkl_OBJECTS) process_hkl_DEPENDENCIES = +am_reintegrate_OBJECTS = reintegrate.$(OBJEXT) cell.$(OBJEXT) \ + hdf5-file.$(OBJEXT) utils.$(OBJEXT) detector.$(OBJEXT) \ + peaks.$(OBJEXT) image.$(OBJEXT) diffraction.$(OBJEXT) \ + sfac.$(OBJEXT) geometry.$(OBJEXT) +reintegrate_OBJECTS = $(am_reintegrate_OBJECTS) +reintegrate_DEPENDENCIES = am_render_hkl_OBJECTS = render_hkl.$(OBJEXT) cell.$(OBJEXT) \ reflections.$(OBJEXT) utils.$(OBJEXT) povray.$(OBJEXT) \ symmetry.$(OBJEXT) render.$(OBJEXT) hdf5-file.$(OBJEXT) \ @@ -151,12 +157,14 @@ SOURCES = $(calibrate_detector_SOURCES) $(compare_hkl_SOURCES) \ $(cubeit_SOURCES) $(facetron_SOURCES) $(get_hkl_SOURCES) \ $(hdfsee_SOURCES) $(indexamajig_SOURCES) \ $(pattern_sim_SOURCES) $(powder_plot_SOURCES) \ - $(process_hkl_SOURCES) $(render_hkl_SOURCES) + $(process_hkl_SOURCES) $(reintegrate_SOURCES) \ + $(render_hkl_SOURCES) DIST_SOURCES = $(calibrate_detector_SOURCES) $(compare_hkl_SOURCES) \ $(cubeit_SOURCES) $(facetron_SOURCES) $(get_hkl_SOURCES) \ $(am__hdfsee_SOURCES_DIST) $(am__indexamajig_SOURCES_DIST) \ $(am__pattern_sim_SOURCES_DIST) $(powder_plot_SOURCES) \ - $(process_hkl_SOURCES) $(render_hkl_SOURCES) + $(process_hkl_SOURCES) $(reintegrate_SOURCES) \ + $(render_hkl_SOURCES) ETAGS = etags CTAGS = ctags DISTFILES = $(DIST_COMMON) $(DIST_SOURCES) $(TEXINFOS) $(EXTRA_DIST) @@ -201,7 +209,6 @@ PACKAGE_BUGREPORT = @PACKAGE_BUGREPORT@ PACKAGE_NAME = @PACKAGE_NAME@ PACKAGE_STRING = @PACKAGE_STRING@ PACKAGE_TARNAME = @PACKAGE_TARNAME@ -PACKAGE_URL = @PACKAGE_URL@ PACKAGE_VERSION = @PACKAGE_VERSION@ PATH_SEPARATOR = @PATH_SEPARATOR@ PKG_CONFIG = @PKG_CONFIG@ @@ -297,6 +304,10 @@ cubeit_SOURCES = cubeit.c cell.c hdf5-file.c utils.c detector.c diffraction.c \ sfac.c render.c filters.c image.c symmetry.c cubeit_LDADD = @LIBS@ +reintegrate_SOURCES = reintegrate.c cell.c hdf5-file.c utils.c detector.c \ + peaks.c image.c diffraction.c sfac.c geometry.c + +reintegrate_LDADD = @LIBS@ INCLUDES = "-I$(top_srcdir)/data" all: all-am @@ -399,6 +410,9 @@ powder_plot$(EXEEXT): $(powder_plot_OBJECTS) $(powder_plot_DEPENDENCIES) process_hkl$(EXEEXT): $(process_hkl_OBJECTS) $(process_hkl_DEPENDENCIES) @rm -f process_hkl$(EXEEXT) $(AM_V_CCLD)$(LINK) $(process_hkl_OBJECTS) $(process_hkl_LDADD) $(LIBS) +reintegrate$(EXEEXT): $(reintegrate_OBJECTS) $(reintegrate_DEPENDENCIES) + @rm -f reintegrate$(EXEEXT) + $(AM_V_CCLD)$(LINK) $(reintegrate_OBJECTS) $(reintegrate_LDADD) $(LIBS) render_hkl$(EXEEXT): $(render_hkl_OBJECTS) $(render_hkl_DEPENDENCIES) @rm -f render_hkl$(EXEEXT) $(AM_V_CCLD)$(LINK) $(render_hkl_OBJECTS) $(render_hkl_LDADD) $(LIBS) @@ -434,6 +448,7 @@ distclean-compile: @AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/powder_plot.Po@am__quote@ @AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/process_hkl.Po@am__quote@ @AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/reflections.Po@am__quote@ +@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/reintegrate.Po@am__quote@ @AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/render.Po@am__quote@ @AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/render_hkl.Po@am__quote@ @AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/sfac.Po@am__quote@ diff --git a/src/reintegrate.c b/src/reintegrate.c new file mode 100644 index 00000000..3cb94730 --- /dev/null +++ b/src/reintegrate.c @@ -0,0 +1,447 @@ +/* + * reintegrate.c + * + * Like "indexamajig", but skip the indexing step + * + * (c) 2006-2010 Thomas White <taw@physics.org> + * + * Part of CrystFEL - crystallography with a FEL + * + */ + + +#ifdef HAVE_CONFIG_H +#include <config.h> +#endif + +#include <stdarg.h> +#include <stdlib.h> +#include <stdio.h> +#include <string.h> +#include <unistd.h> +#include <getopt.h> +#include <pthread.h> +#include <sys/time.h> +#include <assert.h> + +#include "utils.h" +#include "hdf5-file.h" +#include "symmetry.h" +#include "peaks.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' */ +}; + + +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=<filename> Specify the name of the input 'stream'.\n" +" (must be a file, not e.g. stdin)\n" +" -g. --geometry=<file> Get detector geometry from file.\n" +" -x, --prefix=<p> Prefix filenames from input file with <p>.\n" +" --basename Remove the directory parts of the filenames.\n" +" --no-check-prefix Don't attempt to correct the --prefix.\n" +" -j <n> Run <n> 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, 1); + + output_intensities(&image, pargs->cell, + pargs->output_mutex, 1, + 1, 0); + + 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 UnitCell *read_orientation_matrix(FILE *fh) +{ + float u, v, w; + struct rvec as, bs, cs; + UnitCell *cell; + char line[1024]; + + if ( fgets(line, 1023, fh) == NULL ) return NULL; + if ( sscanf(line, "astar = %f %f %f", &u, &v, &w) != 3 ) { + ERROR("Couldn't read a-star\n"); + return NULL; + } + as.u = u*1e9; as.v = v*1e9; as.w = w*1e9; + if ( fgets(line, 1023, fh) == NULL ) return NULL; + if ( sscanf(line, "bstar = %f %f %f", &u, &v, &w) != 3 ) { + ERROR("Couldn't read b-star\n"); + return NULL; + } + bs.u = u*1e9; bs.v = v*1e9; bs.w = w*1e9; + if ( fgets(line, 1023, fh) == NULL ) return NULL; + if ( sscanf(line, "cstar = %f %f %f", &u, &v, &w) != 3 ) { + ERROR("Couldn't read c-star\n"); + return NULL; + } + cs.u = u*1e9; cs.v = v*1e9; cs.w = w*1e9; + cell = cell_new_from_axes(as, bs, cs); + + return cell; +} + + +static int find_chunk(FILE *fh, UnitCell **cell, char **filename) +{ + char line[1024]; + char *rval = NULL; + + do { + + rval = fgets(line, 1023, fh); + if ( rval == NULL ) continue; + + chomp(line); + + if ( strncmp(line, "Reflections from indexing", 25) != 0 ) { + continue; + } + + *filename = strdup(line+29); + + /* Skip two lines (while checking for errors) */ + rval = fgets(line, 1023, fh); + if ( rval == NULL ) continue; + rval = fgets(line, 1023, fh); + if ( rval == NULL ) continue; + + *cell = read_orientation_matrix(fh); + if ( *cell == NULL ) { + STATUS("Got filename but no cell for %s\n", *filename); + continue; + } + + return 0; + + } while ( rval != NULL ); + + return 1; +} + + +static void integrate_all(int nthreads, struct detector *det, FILE *fh, + int config_basename, const char *prefix) +{ + 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; i<nthreads; i++ ) { + + worker_args[i] = malloc(sizeof(struct process_args)); + worker_args[i]->filename = malloc(1024); + worker_active[i] = 0; + worker_args[i]->det = det; + pthread_mutex_init(&worker_args[i]->control_mutex, NULL); + worker_args[i]->output_mutex = &output_mutex; + + } + + /* Start threads off */ + for ( i=0; i<nthreads; i++ ) { + + struct process_args *pargs; + int r; + int rval; + char *filename; + UnitCell *cell; + + pargs = worker_args[i]; + + /* Get the next filename */ + rval = find_chunk(fh, &cell, &filename); + if ( rval == 1 ) break; + if ( config_basename ) { + char *tmp; + tmp = basename(filename); + free(filename); + filename = tmp; + } + snprintf(pargs->filename, 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; i<nthreads; i++ ) { + + struct process_args *pargs; + int done; + char *filename; + UnitCell *cell; + + /* Spend time working, not managing threads */ + usleep(100000); + + /* Are we using this thread record at all? */ + if ( !worker_active[i] ) continue; + + /* Has the thread finished yet? */ + pargs = worker_args[i]; + pthread_mutex_lock(&pargs->control_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 = 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; i<nthreads; i++ ) { + + if ( !worker_active[i] ) goto free; + + /* Tell the thread to exit */ + struct process_args *pargs = worker_args[i]; + pthread_mutex_lock(&pargs->control_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; + 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}, + {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); + + fclose(fh); + free(prefix); + + return 0; +} |