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|
/*
* indexamajig.c
*
* Index patterns, output hkl+intensity etc.
*
* Copyright © 2012 Deutsches Elektronen-Synchrotron DESY,
* a research centre of the Helmholtz Association.
* Copyright © 2012 Richard Kirian
* Copyright © 2012 Lorenzo Galli
*
* Authors:
* 2010-2012 Thomas White <taw@physics.org>
* 2011 Richard Kirian
* 2012 Lorenzo Galli
* 2012 Chunhong Yoon
*
* This file is part of CrystFEL.
*
* CrystFEL is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* CrystFEL is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with CrystFEL. If not, see <http://www.gnu.org/licenses/>.
*
*/
#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 <hdf5.h>
#include <gsl/gsl_errno.h>
#include <pthread.h>
#include <sys/wait.h>
#include <fcntl.h>
#ifdef HAVE_CLOCK_GETTIME
#include <time.h>
#else
#include <sys/time.h>
#endif
#include <crystfel/utils.h>
#include <crystfel/hdf5-file.h>
#include <crystfel/index.h>
#include <crystfel/peaks.h>
#include <crystfel/detector.h>
#include <crystfel/filters.h>
#include <crystfel/thread-pool.h>
#include <crystfel/beam-parameters.h>
#include <crystfel/geometry.h>
#include <crystfel/stream.h>
#include <crystfel/reflist-utils.h>
/* Write statistics at APPROXIMATELY this interval */
#define STATS_EVERY_N_SECONDS (5)
#define LINE_LENGTH 1024
#define BUFFER PIPE_BUF
enum {
PEAK_ZAEF,
PEAK_HDF5,
};
/* Information about the indexing process which is common to all patterns */
struct index_args
{
UnitCell *cell;
int config_cmfilter;
int config_noisefilter;
int config_verbose;
int stream_flags; /* What goes into the output? */
int config_satcorr;
int config_closer;
int config_insane;
int config_bgsub;
float threshold;
float min_gradient;
float min_snr;
double min_int_snr;
struct detector *det;
IndexingMethod *indm;
IndexingPrivate **ipriv;
int peaks; /* Peak detection method */
int cellr;
float tols[4];
struct beam_params *beam;
const char *element;
const char *hdf5_peak_path;
double ir_inn;
double ir_mid;
double ir_out;
/* Output stream */
FILE *ofh;
const struct copy_hdf5_field *copyme;
char *outfile;
};
/* Information about the indexing process for one pattern */
struct pattern_args
{
/* "Input" */
char *filename;
/* "Output" */
int indexable;
};
static void show_help(const char *s)
{
printf("Syntax: %s [options]\n\n", s);
printf(
"Process and index FEL diffraction images.\n"
"\n"
" -h, --help Display this help message.\n"
"\n"
" -i, --input=<filename> Specify file containing list of images to process.\n"
" '-' means stdin, which is the default.\n"
" -o, --output=<filename> Write output stream to this file. '-' for stdout.\n"
" Default: indexamajig.stream\n"
"\n"
" --indexing=<methods> Use 'methods' for indexing. Provide one or more\n"
" methods separated by commas. Choose from:\n"
" none : no indexing (default)\n"
" dirax : invoke DirAx\n"
" mosflm : invoke MOSFLM (DPS)\n"
" reax : DPS algorithm with known unit cell\n"
" -g. --geometry=<file> Get detector geometry from file.\n"
" -b, --beam=<file> Get beam parameters from file (provides nominal\n"
" wavelength value if no per-shot value is found in\n"
" the HDF5 files.\n"
" -p, --pdb=<file> PDB file from which to get the unit cell to match.\n"
" Default: 'molecule.pdb'.\n"
" --basename Remove the directory parts of the filenames.\n"
" -x, --prefix=<p> Prefix filenames from input file with <p>.\n"
" --peaks=<method> Use 'method' for finding peaks. Choose from:\n"
" zaef : Use Zaefferer (2000) gradient detection.\n"
" This is the default method.\n"
" hdf5 : Get from a table in HDF5 file.\n"
" --hdf5-peaks=<p> Find peaks table in HDF5 file here.\n"
" Default: /processing/hitfinder/peakinfo\n"
"\n\n"
"You can control what information is included in the output stream using\n"
"' --record=<flag1>,<flag2>,<flag3>' and so on. Possible flags are:\n\n"
" integrated Include a list of reflection intensities, produced by\n"
" integrating around predicted peak locations.\n"
"\n"
" peaks Include peak locations and intensities from the peak\n"
" search.\n"
"\n"
" peaksifindexed As 'peaks', but only if the pattern could be indexed.\n"
"\n"
" peaksifnotindexed As 'peaks', but only if the pattern could NOT be indexed.\n"
"\n\n"
"The default is '--record=integrated'.\n"
"\n\n"
"For more control over the process, you might need:\n\n"
" --cell-reduction=<m> Use <m> as the cell reduction method. Choose from:\n"
" none : no matching, just use the raw cell.\n"
" reduce : full cell reduction.\n"
" compare : match by at most changing the order of\n"
" the indices.\n"
" compare_ab : compare 'a' and 'b' lengths only.\n"
" --tolerance=<tol> Set the tolerances for cell reduction.\n"
" Default: 5,5,5,1.5.\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"
" --filter-noise Apply an aggressive noise filter which sets all\n"
" pixels in each 3x3 region to zero if any of them\n"
" have negative values. Intensity measurement will\n"
" be performed on the image as it was before this.\n"
" --no-sat-corr Don't correct values of saturated peaks using a\n"
" table included in the HDF5 file.\n"
" --threshold=<n> Only accept peaks above <n> ADU. Default: 800.\n"
" --min-gradient=<n> Minimum gradient for Zaefferer peak search.\n"
" Default: 100,000.\n"
" --min-snr=<n> Minimum signal-to-noise ratio for peaks.\n"
" Default: 5.\n"
" --min-integration-snr=<n> Minimum signal-to-noise ratio for peaks\n"
" during integration. Default: -infinity.\n"
" --int-radius=<r> Set the integration radii. Default: 4,5,7.\n"
"-e, --image=<element> Use this image from the HDF5 file.\n"
" Example: /data/data0.\n"
" Default: The first one found.\n"
"\n"
"\nFor time-resolved stuff, you might want to use:\n\n"
" --copy-hdf5-field <f> Copy the value of field <f> into the stream. You\n"
" can use this option as many times as you need.\n"
"\n"
"\nOptions for greater performance or verbosity:\n\n"
" --verbose Be verbose about indexing.\n"
" -j <n> Run <n> analyses in parallel. Default 1.\n"
"\n"
"\nOptions you probably won't need:\n\n"
" --no-check-prefix Don't attempt to correct the --prefix.\n"
" --closer-peak Don't integrate from the location of a nearby peak\n"
" instead of the predicted spot. Don't use.\n"
" --insane Don't check that the reduced cell accounts for at\n"
" least 10%% of the located peaks.\n"
" --no-bg-sub Don't subtract local background estimates from\n"
" integrated intensities.\n"
);
}
static char *get_pattern(FILE *fh)
{
char *rval;
char line[LINE_LENGTH];
rval = fgets(line, LINE_LENGTH - 1, fh);
if ( ferror(fh) ) {
ERROR("Failed to get next filename from list.\n");
rval = NULL;
}
return rval;
}
static void process_image(void *qp, void *pp, int cookie)
{
struct index_args *pargs = pp;
struct queue_args *qargs = qp;
float *data_for_measurement;
size_t data_size;
UnitCell *cell = qargs->static_args.cell;
int config_cmfilter = qargs->static_args.config_cmfilter;
int config_noisefilter = qargs->static_args.config_noisefilter;
int config_verbose = qargs->static_args.config_verbose;
IndexingMethod *indm = qargs->static_args.indm;
struct beam_params *beam = qargs->static_args.beam;
int r, check;
struct hdfile *hdfile;
char *outfile = qargs->static_args.outfile;
struct image image;
image.features = NULL;
image.data = NULL;
image.flags = NULL;
image.indexed_cell = NULL;
image.det = copy_geom(qargs->static_args.det);
image.copyme = qargs->static_args.copyme;
image.beam = beam;
image.id = cookie; // MUST SET ID FOR MOSFLM TO WORK PROPERLY
if (beam == NULL) {
ERROR("Warning: no beam parameters file.\n");
ERROR("I'm going to assume 1 ADU per photon, which is almost");
ERROR(" certainly wrong. Peak sigmas will be incorrect.\n");
}
char *filename = NULL;
char *imagename = pargs->filename;
chomp(imagename);
filename = malloc(strlen(qargs->prefix) + strlen(imagename) + 1);
snprintf(filename, LINE_LENGTH - 1, "%s%s", qargs->prefix, imagename);
image.filename = filename;
hdfile = hdfile_open(filename);
if (hdfile == NULL) return;
r = hdfile_set_first_image(hdfile, "/"); // Need this to read hdf5 files
if (r) {
ERROR("Couldn't select first path\n");
hdfile_close(hdfile);
return;
}
check = hdf5_read(hdfile, &image, 1);
if (check == 1) {
hdfile_close(hdfile);
return;
}
if ((image.width != image.det->max_fs + 1)
|| (image.height != image.det->max_ss + 1)) {
ERROR("Image size doesn't match geometry size"
" - rejecting image.\n");
ERROR("Image size: %i,%i. Geometry size: %i,%i\n",
image.width, image.height,
image.det->max_fs + 1, image.det->max_ss + 1);
hdfile_close(hdfile);
free_detector_geometry(image.det);
return;
}
if (image.lambda < 0.0) {
if (beam != NULL) {
ERROR("Using nominal photon energy of %.2f eV\n",
beam->photon_energy);
image.lambda = ph_en_to_lambda(
eV_to_J(beam->photon_energy));
} else {
ERROR("No wavelength in file, so you need to give "
"a beam parameters file with -b.\n");
hdfile_close(hdfile);
free_detector_geometry(image.det);
return;
}
}
fill_in_values(image.det, hdfile);
if (config_cmfilter) {
filter_cm(&image);
}
// Take snapshot of image after CM subtraction but before
// the aggressive noise filter.
data_size = image.width * image.height * sizeof (float);
data_for_measurement = malloc(data_size);
if (config_noisefilter) {
filter_noise(&image, data_for_measurement);
} else {
memcpy(data_for_measurement, image.data, data_size);
}
switch (qargs->static_args.peaks) {
case PEAK_HDF5:
// Get peaks from HDF5
if (get_peaks(&image, hdfile,
qargs->static_args.hdf5_peak_path)) {
ERROR("Failed to get peaks from HDF5 file.\n");
}
break;
case PEAK_ZAEF:
search_peaks(&image, qargs->static_args.threshold,
qargs->static_args.min_gradient,
qargs->static_args.min_snr,
qargs->static_args.ir_inn,
qargs->static_args.ir_mid,
qargs->static_args.ir_out);
break;
}
/* Get rid of noise-filtered version at this point
* - it was strictly for the purposes of peak detection. */
free(image.data);
image.data = data_for_measurement;
/* Calculate orientation matrix (by magic) */
image.div = beam->divergence;
image.bw = beam->bandwidth;
image.profile_radius = 0.0001e9;
/* RUN INDEXING HERE */
index_pattern(&image, cell, indm, qargs->static_args.cellr,
config_verbose, qargs->static_args.ipriv,
qargs->static_args.config_insane, qargs->static_args.tols);
if (image.indexed_cell != NULL) {
pargs->indexable = 1;
image.reflections = find_intersections(&image,
image.indexed_cell);
if (image.reflections != NULL) {
integrate_reflections(&image,
qargs->static_args.config_closer,
qargs->static_args.config_bgsub,
qargs->static_args.min_int_snr,
qargs->static_args.ir_inn,
qargs->static_args.ir_mid,
qargs->static_args.ir_out);
}
} else {
image.reflections = NULL;
}
/* Write Lock */
struct flock fl = {F_WRLCK, SEEK_SET, 0, 0, 0};
int fd;
fl.l_pid = getpid();
char *outfilename = NULL;
chomp(outfile);
outfilename = malloc(strlen(outfile) + 1);
snprintf(outfilename, LINE_LENGTH - 1, "%s", outfile);
if ((fd = open(outfilename, O_WRONLY)) == -1) {
ERROR("Error on opening\n");
exit(1);
}
if (fcntl(fd, F_SETLKW, &fl) == -1) {
ERROR("Error on setting lock wait\n");
exit(1);
}
/* LOCKED! Write chunk */
FILE *fh;
fh = fopen(outfilename, "a");
if (fh == NULL) {
ERROR("Error inside lock\n");
}
write_chunk(fh, &image, hdfile, qargs->static_args.stream_flags);
fclose(fh);
/* Unlock stream for other processes */
fl.l_type = F_UNLCK; /* set to unlock same region */
if (fcntl(fd, F_SETLK, &fl) == -1) {
ERROR("fcntl");
exit(1);
}
close(fd);
qargs->n_indexable += pargs->indexable;
qargs->n_processed++;
/* Only free cell if found */
cell_free(image.indexed_cell);
reflist_free(image.reflections);
free(image.data);
if ( image.flags != NULL ) free(image.flags);
image_feature_list_free(image.features);
hdfile_close(hdfile);
free_detector_geometry(image.det);
}
static void run_work(const struct index_args *iargs,
int filename_pipe, int results_pipe)
{
int allDone = 0;
while ( !allDone ) {
/* read from pipe and return number of bytes read */
if ((buff_count=read(fd_pipeOut[batchNum-1][0],&buffR,BUFFER))<0) {
ERROR("read1");
} else if (buff_count > 0) {
/* process image */
pargs.filename = buffR;
pargs.indexable = 0;
process_image(&qargs, &pargs, batchNum);
/* request another image */
buff_count = sprintf(buffW, "%d\n", pargs.indexable);
if(write (fd_pipeIn[batchNum-1][1], buffW, buff_count)<0)
ERROR("write P0");
} else if (buff_count == 0) {
allDone = 1;
}
}
/* close my pipes */
close(filename_pipe);
close(results_pipe);
}
#ifdef HAVE_CLOCK_GETTIME
static time_t get_monotonic_seconds()
{
struct timespec tp;
clock_gettime(CLOCK_MONOTONIC, &tp);
return tp.tv_sec;
}
#else
/* Fallback version of the above. The time according to gettimeofday() is not
* monotonic, so measuring intervals based on it will screw up if there's a
* timezone change (e.g. daylight savings) while the program is running. */
static time_t get_monotonic_seconds()
{
struct timeval tp;
gettimeofday(&tp, NULL);
return tp.tv_sec;
}
#endif
static int parse_cell_reduction(const char *scellr, int *err,
int *reduction_needs_cell)
{
*err = 0;
if ( strcmp(scellr, "none") == 0 ) {
*reduction_needs_cell = 0;
return CELLR_NONE;
} else if ( strcmp(scellr, "reduce") == 0) {
*reduction_needs_cell = 1;
return CELLR_REDUCE;
} else if ( strcmp(scellr, "compare") == 0) {
*reduction_needs_cell = 1;
return CELLR_COMPARE;
} else if ( strcmp(scellr, "compare_ab") == 0) {
*reduction_needs_cell = 1;
return CELLR_COMPARE_AB;
} else {
*err = 1;
*reduction_needs_cell = 0;
return CELLR_NONE;
}
}
int main(int argc, char *argv[])
{
int c;
char *filename = NULL;
char *outfile = NULL;
FILE *fh;
FILE *ofh;
char *rval = NULL;
int config_noindex = 0;
int config_cmfilter = 0;
int config_noisefilter = 0;
int config_verbose = 0;
int config_satcorr = 1;
int config_checkprefix = 1;
int config_closer = 0;
int config_insane = 0;
int config_bgsub = 1;
int config_basename = 0;
float threshold = 800.0;
float min_gradient = 100000.0;
float min_snr = 5.0;
double min_int_snr = -INFINITY;
struct detector *det;
char *geometry = NULL;
IndexingMethod *indm;
IndexingPrivate **ipriv;
int indexer_needs_cell;
int reduction_needs_cell;
char *indm_str = NULL;
UnitCell *cell;
char *pdb = NULL;
char *prefix = NULL;
char *speaks = NULL;
char *scellr = NULL;
char *toler = NULL;
float tols[4] = {5.0, 5.0, 5.0, 1.5}; /* a,b,c,angles (%,%,%,deg) */
int cellr;
int peaks;
int n_proc = 1;
char *prepare_line;
char prepare_filename[LINE_LENGTH];
struct queue_args qargs;
struct index_args pargs;
struct beam_params *beam = NULL;
char *element = NULL;
double nominal_photon_energy;
int stream_flags = STREAM_INTEGRATED;
char *endptr;
char *hdf5_peak_path = NULL;
struct copy_hdf5_field *copyme;
char *intrad = NULL;
float ir_inn = 4.0;
float ir_mid = 5.0;
float ir_out = 7.0;
int n_indexable, n_processed, n_indexable_last_stats;
int n_processed_last_stats;
int t_last_stats;
pid_t *pids;
int *filename_pipes;
int *result_pipes;
copyme = new_copy_hdf5_field_list();
if ( copyme == NULL ) {
ERROR("Couldn't allocate HDF5 field list.\n");
return 1;
}
/* Long options */
const struct option longopts[] = {
{"help", 0, NULL, 'h'},
{"input", 1, NULL, 'i'},
{"output", 1, NULL, 'o'},
{"no-index", 0, &config_noindex, 1},
{"indexing", 1, NULL, 'z'},
{"geometry", 1, NULL, 'g'},
{"beam", 1, NULL, 'b'},
{"filter-cm", 0, &config_cmfilter, 1},
{"filter-noise", 0, &config_noisefilter, 1},
{"verbose", 0, &config_verbose, 1},
{"pdb", 1, NULL, 'p'},
{"prefix", 1, NULL, 'x'},
{"no-sat-corr", 0, &config_satcorr, 0},
{"sat-corr", 0, &config_satcorr, 1}, /* Compat */
{"threshold", 1, NULL, 't'},
{"no-check-prefix", 0, &config_checkprefix, 0},
{"no-closer-peak", 0, &config_closer, 0},
{"closer-peak", 0, &config_closer, 1},
{"insane", 0, &config_insane, 1},
{"image", 1, NULL, 'e'},
{"basename", 0, &config_basename, 1},
{"bg-sub", 0, &config_bgsub, 1}, /* Compat */
{"no-bg-sub", 0, &config_bgsub, 0},
{"peaks", 1, NULL, 2},
{"cell-reduction", 1, NULL, 3},
{"min-gradient", 1, NULL, 4},
{"record", 1, NULL, 5},
{"cpus", 1, NULL, 6},
{"cpugroup", 1, NULL, 7},
{"cpuoffset", 1, NULL, 8},
{"hdf5-peaks", 1, NULL, 9},
{"copy-hdf5-field", 1, NULL, 10},
{"min-snr", 1, NULL, 11},
{"min-integration-snr",1, NULL, 12},
{"tolerance", 1, NULL, 13},
{"int-radius", 1, NULL, 14},
{0, 0, NULL, 0}
};
/* Short options */
while ((c = getopt_long(argc, argv, "hi:o:z:p:x:j:g:t:b:e:",
longopts, NULL)) != -1)
{
switch (c) {
case 'h' :
show_help(argv[0]);
return 0;
case 'i' :
filename = strdup(optarg);
break;
case 'o' :
outfile = strdup(optarg);
break;
case 'z' :
indm_str = strdup(optarg);
break;
case 'p' :
pdb = strdup(optarg);
break;
case 'x' :
prefix = strdup(optarg);
break;
case 'j' :
n_proc = atoi(optarg);
break;
case 'g' :
geometry = strdup(optarg);
break;
case 't' :
threshold = strtof(optarg, NULL);
break;
case 'b' :
beam = get_beam_parameters(optarg);
if ( beam == NULL ) {
ERROR("Failed to load beam parameters"
" from '%s'\n", optarg);
return 1;
}
break;
case 'e' :
element = strdup(optarg);
break;
case 2 :
speaks = strdup(optarg);
break;
case 3 :
scellr = strdup(optarg);
break;
case 4 :
min_gradient = strtof(optarg, NULL);
break;
case 5 :
stream_flags = parse_stream_flags(optarg);
if ( stream_flags < 0 ) return 1;
break;
case 6 :
case 7 :
case 8 :
ERROR("The options --cpus, --cpugroup and --cpuoffset"
" are no longer used by indexamajig.\n");
break;
case 9 :
hdf5_peak_path = strdup(optarg);
break;
case 10 :
add_copy_hdf5_field(copyme, optarg);
break;
case 11 :
min_snr = strtof(optarg, NULL);
break;
case 12 :
min_int_snr = strtof(optarg, NULL);
break;
case 13 :
toler = strdup(optarg);
break;
case 14 :
intrad = strdup(optarg);
break;
case 0 :
break;
default :
return 1;
}
}
if ( filename == NULL ) {
filename = strdup("-");
}
if ( strcmp(filename, "-") == 0 ) {
fh = stdin;
} else {
fh = fopen(filename, "r");
}
if ( fh == NULL ) {
ERROR("Failed to open input file '%s'\n", filename);
return 1;
}
free(filename);
if ( outfile == NULL ) {
outfile = strdup("-");
}
if ( strcmp(outfile, "-") == 0 ) {
ofh = stdout;
} else {
ofh = fopen(outfile, "w");
}
if ( ofh == NULL ) {
ERROR("Failed to open output file '%s'\n", outfile);
return 1;
}
if ( hdf5_peak_path == NULL ) {
hdf5_peak_path = strdup("/processing/hitfinder/peakinfo");
}
if ( speaks == NULL ) {
speaks = strdup("zaef");
STATUS("You didn't specify a peak detection method.\n");
STATUS("I'm using 'zaef' for you.\n");
}
if ( strcmp(speaks, "zaef") == 0 ) {
peaks = PEAK_ZAEF;
} else if ( strcmp(speaks, "hdf5") == 0 ) {
peaks = PEAK_HDF5;
} else {
ERROR("Unrecognised peak detection method '%s'\n", speaks);
return 1;
}
free(speaks);
if ( pdb == NULL ) {
pdb = strdup("molecule.pdb");
}
if ( prefix == NULL ) {
prefix = strdup("");
} else {
if ( config_checkprefix ) {
prefix = check_prefix(prefix);
}
}
if ( nProcesses == 0 ) {
ERROR("Invalid number of processes.\n");
return 1;
}
if ( (indm_str == NULL) ||
((indm_str != NULL) && (strcmp(indm_str, "none") == 0)) ) {
STATUS("Not indexing anything.\n");
indexer_needs_cell = 0;
reduction_needs_cell = 0;
indm = NULL;
cellr = CELLR_NONE;
} else {
if ( indm_str == NULL ) {
STATUS("You didn't specify an indexing method, so I "
" won't try to index anything.\n"
"If that isn't what you wanted, re-run with"
" --indexing=<method>.\n");
indm = NULL;
indexer_needs_cell = 0;
} else {
indm = build_indexer_list(indm_str,
&indexer_needs_cell);
if ( indm == NULL ) {
ERROR("Invalid indexer list '%s'\n", indm_str);
return 1;
}
free(indm_str);
}
reduction_needs_cell = 0;
if ( scellr == NULL ) {
STATUS("You didn't specify a cell reduction method, so"
" I'm going to use 'reduce'.\n");
cellr = CELLR_REDUCE;
reduction_needs_cell = 1;
} else {
int err;
cellr = parse_cell_reduction(scellr, &err,
&reduction_needs_cell);
if ( err ) {
ERROR("Unrecognised cell reduction '%s'\n",
scellr);
return 1;
}
free(scellr);
}
}
/* No indexing -> no reduction */
if ( indm == NULL ) reduction_needs_cell = 0;
if ( toler != NULL ) {
int ttt;
ttt = sscanf(toler, "%f,%f,%f,%f",
&tols[0], &tols[1], &tols[2], &tols[3] );
if ( ttt != 4 ) {
ERROR("Invalid parameters for '--tolerance'\n");
return 1;
}
}
if ( intrad != NULL ) {
int r;
r = sscanf(intrad, "%f,%f,%f", &ir_inn, &ir_mid, &ir_out);
if ( r != 3 ) {
ERROR("Invalid parameters for '--int-radius'\n");
return 1;
}
} else {
STATUS("WARNING: You did not specify --int-radius.\n");
STATUS("WARNING: I will use the default values, which are"
" probably not appropriate for your patterns.\n");
}
if ( geometry == NULL ) {
ERROR("You need to specify a geometry file with --geometry\n");
return 1;
}
det = get_detector_geometry(geometry);
if ( det == NULL ) {
ERROR("Failed to read detector geometry from '%s'\n", geometry);
return 1;
}
free(geometry);
if ( reduction_needs_cell || indexer_needs_cell ) {
cell = load_cell_from_pdb(pdb);
if ( cell == NULL ) {
ERROR("Couldn't read unit cell (from %s)\n", pdb);
return 1;
}
} else {
STATUS("No cell needed for these choices of indexing"
" and reduction.\n");
cell = NULL;
}
free(pdb);
write_stream_header(ofh, argc, argv);
if ( beam != NULL ) {
nominal_photon_energy = beam->photon_energy;
} else {
STATUS("No beam parameters file was given, so I'm taking the"
" nominal photon energy to be 2 keV.\n");
nominal_photon_energy = 2000.0;
}
if ( beam == NULL ) {
ERROR("Warning: no beam parameters file.\n");
ERROR("I'm going to assume 1 ADU per photon, which is almost");
ERROR(" certainly wrong. Peak sigmas will be incorrect.\n");
}
/* Get first filename and use it to set up the indexing */
prepare_line = malloc(LINE_LENGTH*sizeof(char));
rval = fgets(prepare_line, LINE_LENGTH-1, fh);
if ( rval == NULL ) {
ERROR("Failed to get filename to prepare indexing.\n");
return 1;
}
chomp(prepare_line);
if ( config_basename ) {
char *tmp;
tmp = safe_basename(prepare_line);
free(prepare_line);
prepare_line = tmp;
}
snprintf(prepare_filename, LINE_LENGTH-1, "%s%s", prefix, prepare_line);
rewind(fh);
/* Prepare the indexer */
if ( indm != NULL ) {
ipriv = prepare_indexing(indm, cell, prepare_filename, det,
nominal_photon_energy);
if ( ipriv == NULL ) {
ERROR("Failed to prepare indexing.\n");
return 1;
}
} else {
ipriv = NULL;
}
gsl_set_error_handler_off();
/* Static worker args */
iargs.cell = cell;
iargs.config_cmfilter = config_cmfilter;
iargs.config_noisefilter = config_noisefilter;
iargs.config_verbose = config_verbose;
iargs.config_satcorr = config_satcorr;
iargs.config_closer = config_closer;
iargs.config_insane = config_insane;
iargs.config_bgsub = config_bgsub;
iargs.cellr = cellr;
iargs.tols[0] = tols[0];
iargs.tols[1] = tols[1];
iargs.tols[2] = tols[2];
iargs.tols[3] = tols[3];
iargs.threshold = threshold;
iargs.min_gradient = min_gradient;
iargs.min_snr = min_snr;
iargs.min_int_snr = min_int_snr;
iargs.det = det;
iargs.indm = indm;
iargs.ipriv = ipriv;
iargs.peaks = peaks;
iargs.ofh = ofh;
iargs.beam = beam;
iargs.element = element;
iargs.stream_flags = stream_flags;
iargs.hdf5_peak_path = hdf5_peak_path;
iargs.copyme = copyme;
iargs.ir_inn = ir_inn;
iargs.ir_mid = ir_mid;
iargs.ir_out = ir_out;
iargs.outfile = outfile;
n_indexable = 0;
n_processed = 0;
n_indexable_last_stats = 0;
n_processed_last_stats = 0;
t_last_stats = get_monotonic_seconds();
/* Fork the right number of times */
for ( i=0; i<n_proc; i++ ) {
pid_t p;
int filename_pipe[2];
int result_pipe[2];
if ( pipe(filename_pipe) == - 1 ) {
ERROR("pipe() failed!\n");
return 1;
}
if ( pipe(results_pipe) == - 1 ) {
ERROR("pipe() failed!\n");
return 1;
}
p = fork();
if ( p == -1 ) {
ERROR("fork() failed!\n");
return 1;
}
if ( p == 0 ) {
/* Child process gets the 'read' end of the filename
* pipe, and the 'write' end of the result pipe. */
close(filename_pipe[1]);
close(result_pipe[0]);
run_work(&iargs, filename_pipe[0], result_pipe[1]);
exit(0);
}
/* Parent process gets the 'write' end of the filename pipe
* and the 'read' end of the result pipe. */
pid[i] = p;
close(filename_pipe[0]);
close(result_pipe[1]);
filename_pipes[i] = filename_pipe[1];
result_pipes[i] = result_pipe[0];
}
/* Send first image to all children */
char *nextImage = NULL;
for ( i=0; i<nProcesses; i++ ) {
nextImage = get_pattern(fh);
buff_count = sprintf(buffW, "%s",nextImage);
write (fd_pipeOut[i][1], buffW, buff_count);
}
int nFinished = 0;
while (!allDone) {
/* select from file set for reading */
if ((ready_fd = select(max_fd,&fdset,NULL,NULL,NULL)) < 0)
ERROR("select");
if (ready_fd > 0) {
for ( i=0; i<nProcesses; i++ ) {
/* is in file set that raised flag? */
if (FD_ISSET(fd_pipeIn[i][0],&fdset)) {
/* read from pipe and return number of bytes read */
if ((buff_count=read(fd_pipeIn[i][0],&buffR,BUFFER))<0) {
ERROR("read");
} else {
qargs.n_indexable += atoi(buffR);
qargs.n_processed++;
/* write to pipe */
if ((nextImage = get_pattern(fh)) == NULL){
nFinished++; /* no more images */
if ( nFinished == nProcesses )
allDone = 1; /* EXIT */
} else {
/* send out image */
buff_count = sprintf(buffW, "%s",nextImage);
if (write (fd_pipeOut[i][1], buffW, buff_count)<0)
ERROR("write pipe");
}
}
}
}
}
/* file set is modified, so copy original from tmpset */
memcpy((void *) &fdset,(void *) &tmpset, sizeof(fd_set));
/* Update to screen */
double tNow = get_monotonic_seconds();
if ( tNow >= qargs.t_last_stats+STATS_EVERY_N_SECONDS ) {
STATUS("%i out of %i indexed so far,"
" %i out of %i since the last message.\n\n",
qargs.n_indexable, qargs.n_processed,
qargs.n_indexable - qargs.n_indexable_last_stats,
qargs.n_processed - qargs.n_processed_last_stats);
qargs.n_indexable_last_stats = qargs.n_indexable;
qargs.n_processed_last_stats = qargs.n_processed;
qargs.t_last_stats = tNow;
}
}
/* close my pipes */
for ( i=0; i<nProcesses; i++ ) {
close(fd_pipeIn[i][0]);
close(fd_pipeOut[i][1]);
}
tEnd = get_monotonic_seconds();
cleanup_indexing(ipriv);
free(indm);
free(ipriv);
free(prefix);
free_detector_geometry(det);
free(beam);
free(element);
free(hdf5_peak_path);
free_copy_hdf5_field_list(copyme);
cell_free(cell);
if ( fh != stdin ) fclose(fh);
if ( ofh != stdout ) fclose(ofh);
if (batchNum == qargs.updateReader) {
STATUS("There were %i images, of which %i could be indexed.\n",
qargs.n_processed, qargs.n_indexable);
}
return 0;
}
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