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-rw-r--r--src/partialator.c222
1 files changed, 131 insertions, 91 deletions
diff --git a/src/partialator.c b/src/partialator.c
index 61cf979b..24027728 100644
--- a/src/partialator.c
+++ b/src/partialator.c
@@ -920,10 +920,42 @@ static void write_logs_parallel(Crystal **crystals, int n_crystals,
}
+struct stream_list
+{
+ int n;
+ int max_n;
+ const char **filenames;
+ Stream **streams;
+};
+
+
+static int add_stream(const char *filename, struct stream_list *list)
+{
+ if ( list->n == list->max_n ) {
+ const char **new_filenames = realloc(list->filenames,
+ (list->n+16)*sizeof(const char *));
+ Stream **new_streams = realloc(list->streams,
+ (list->n+16)*sizeof(Stream *));
+ if ( (new_filenames == NULL) || (new_streams == NULL) ) return 1;
+ list->max_n += 16;
+ list->filenames = new_filenames;
+ list->streams = new_streams;
+ }
+
+ list->filenames[list->n] = filename;
+ list->streams[list->n] = NULL;
+ list->n++;
+ return 0;
+}
+
+
int main(int argc, char *argv[])
{
int c;
- char *infile = NULL;
+ struct stream_list stream_list = {.n = 0,
+ .max_n = 0,
+ .filenames = NULL,
+ .streams = NULL};
char *outfile = NULL;
char *sym_str = NULL;
SymOpList *sym;
@@ -940,7 +972,6 @@ int main(int argc, char *argv[])
int no_scale = 0;
int no_Bscale = 0;
int no_pr = 0;
- Stream *st;
Crystal **crystals;
char *pmodel_str = NULL;
PartialityModel pmodel = PMODEL_XSPHERE;
@@ -1043,7 +1074,7 @@ int main(int argc, char *argv[])
return 0;
case 'i' :
- infile = strdup(optarg);
+ add_stream(optarg, &stream_list);
break;
case 'j' :
@@ -1205,18 +1236,17 @@ int main(int argc, char *argv[])
}
+ while ( optind < argc ) {
+ add_stream(argv[optind++], &stream_list);
+ }
+
if ( nthreads < 1 ) {
ERROR("Invalid number of threads.\n");
return 1;
}
- if ( infile == NULL ) {
- ERROR("Please give the input filename (with -i)\n");
- return 1;
- }
- st = stream_open_for_read(infile);
- if ( st == NULL ) {
- ERROR("Failed to open input stream '%s'\n", infile);
+ if ( stream_list.n == 0 ) {
+ ERROR("Please give at least one input filename\n");
return 1;
}
@@ -1372,107 +1402,118 @@ int main(int argc, char *argv[])
sparams_fh = NULL;
}
- do {
-
- struct image *image;
- RefList *as;
- int i;
-
- image = stream_read_chunk(st, STREAM_REFLECTIONS);
- if ( image == NULL ) break;
+ audit_info = NULL;
+ for ( i=0; i<stream_list.n; i++ ) {
- if ( isnan(image->div) || isnan(image->bw) ) {
- ERROR("Chunk doesn't contain beam parameters.\n");
- return 1;
+ Stream *st = stream_open_for_read(stream_list.filenames[i]);
+ if ( audit_info == NULL ) {
+ audit_info = stream_audit_info(st);
}
- for ( i=0; i<image->n_crystals; i++ ) {
-
- Crystal *cr;
- Crystal **crystals_new;
- RefList *cr_refl;
- struct image *image_for_crystal;
+ do {
- n_crystals_seen++;
- if ( n_crystals_seen <= start_after ) continue;
+ struct image *image;
+ RefList *as;
+ int i;
- if ( crystal_get_resolution_limit(image->crystals[i]) < min_res ) continue;
+ image = stream_read_chunk(st, STREAM_REFLECTIONS);
+ if ( image == NULL ) break;
- crystals_new = realloc(crystals,
- (n_crystals+1)*sizeof(Crystal *));
- if ( crystals_new == NULL ) {
- ERROR("Failed to allocate memory for crystal "
- "list.\n");
- return 1;
- }
- crystals = crystals_new;
- crystals[n_crystals] = crystal_copy_deep(image->crystals[i]);
- cr = crystals[n_crystals];
-
- /* Create a completely new, separate image
- * structure for this crystal. */
- image_for_crystal = image_new();
- if ( image_for_crystal == NULL ) {
- ERROR("Failed to allocate memory for image.\n");
+ if ( isnan(image->div) || isnan(image->bw) ) {
+ ERROR("Chunk doesn't contain beam parameters.\n");
return 1;
}
- crystal_set_image(cr, image_for_crystal);
- *image_for_crystal = *image;
- image_for_crystal->n_crystals = 1;
- image_for_crystal->crystals = &crystals[n_crystals];
-
- image_for_crystal->filename = strdup(image->filename);
- image_for_crystal->ev = safe_strdup(image->ev);
- image_for_crystal->detgeom = NULL;
- image_for_crystal->features = NULL;
- image_for_crystal->spectrum = NULL;
- image_for_crystal->copied_headers = NULL;
- image_for_crystal->dp = NULL;
- image_for_crystal->bad = NULL;
- image_for_crystal->sat = NULL;
-
- /* This is the raw list of reflections */
- cr_refl = crystal_get_reflections(cr);
-
- cr_refl = apply_max_adu(cr_refl, max_adu);
-
- if ( !no_free ) select_free_reflections(cr_refl, rng);
-
- as = asymmetric_indices(cr_refl, sym);
- crystal_set_reflections(cr, as);
- crystal_set_user_flag(cr, PRFLAG_OK);
- reflist_free(cr_refl);
-
- if ( set_initial_params(cr, sparams_fh, force_bandwidth,
- force_radius, force_lambda) )
- {
- ERROR("Failed to set initial parameters\n");
- return 1;
+ for ( i=0; i<image->n_crystals; i++ ) {
+
+ Crystal *cr;
+ Crystal **crystals_new;
+ RefList *cr_refl;
+ struct image *image_for_crystal;
+
+ n_crystals_seen++;
+ if ( n_crystals_seen <= start_after ) continue;
+
+ if ( crystal_get_resolution_limit(image->crystals[i]) < min_res ) continue;
+
+ crystals_new = realloc(crystals,
+ (n_crystals+1)*sizeof(Crystal *));
+ if ( crystals_new == NULL ) {
+ ERROR("Failed to allocate memory for crystal "
+ "list.\n");
+ return 1;
+ }
+ crystals = crystals_new;
+ crystals[n_crystals] = crystal_copy_deep(image->crystals[i]);
+ cr = crystals[n_crystals];
+
+ /* Create a completely new, separate image
+ * structure for this crystal. */
+ image_for_crystal = image_new();
+ if ( image_for_crystal == NULL ) {
+ ERROR("Failed to allocate memory for image.\n");
+ return 1;
+ }
+
+ crystal_set_image(cr, image_for_crystal);
+ *image_for_crystal = *image;
+ image_for_crystal->n_crystals = 1;
+ image_for_crystal->crystals = &crystals[n_crystals];
+
+ image_for_crystal->filename = strdup(image->filename);
+ image_for_crystal->ev = safe_strdup(image->ev);
+ image_for_crystal->detgeom = NULL;
+ image_for_crystal->features = NULL;
+ image_for_crystal->spectrum = NULL;
+ image_for_crystal->copied_headers = NULL;
+ image_for_crystal->dp = NULL;
+ image_for_crystal->bad = NULL;
+ image_for_crystal->sat = NULL;
+
+ /* This is the raw list of reflections */
+ cr_refl = crystal_get_reflections(cr);
+
+ cr_refl = apply_max_adu(cr_refl, max_adu);
+
+ if ( !no_free ) select_free_reflections(cr_refl, rng);
+
+ as = asymmetric_indices(cr_refl, sym);
+ crystal_set_reflections(cr, as);
+ crystal_set_user_flag(cr, PRFLAG_OK);
+ reflist_free(cr_refl);
+
+ if ( set_initial_params(cr, sparams_fh, force_bandwidth,
+ force_radius, force_lambda) )
+ {
+ ERROR("Failed to set initial parameters\n");
+ return 1;
+ }
+
+ n_crystals++;
+
+ if ( n_crystals == stop_after ) break;
+
}
- n_crystals++;
+ image_free(image);
- if ( n_crystals == stop_after ) break;
+ n_images++;
- }
+ if ( n_images % 100 == 0 ) {
+ display_progress(n_images, n_crystals);
+ }
- image_free(image);
+ if ( (stop_after>0) && (n_crystals == stop_after) ) break;
- n_images++;
+ } while ( 1 );
- if ( n_images % 100 == 0 ) {
- display_progress(n_images, n_crystals);
- }
+ stream_close(st);
- if ( (stop_after>0) && (n_crystals == stop_after) ) break;
+ }
- } while ( 1 );
display_progress(n_images, n_crystals);
fprintf(stderr, "\n");
if ( sparams_fh != NULL ) fclose(sparams_fh);
- audit_info = stream_audit_info(st);
- stream_close(st);
STATUS("Initial partiality calculation...\n");
for ( i=0; i<n_crystals; i++ ) {
@@ -1637,7 +1678,6 @@ int main(int argc, char *argv[])
free_symoplist(sym);
free(outfile);
free(crystals);
- free(infile);
return 0;
}
generated by cgit v1.2.3 (git 2.25.1) at 2024-06-23 02:36:46 +0000