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authorThomas White <taw@physics.org>2011-03-16 18:23:48 +0100
committerThomas White <taw@physics.org>2012-02-22 15:27:20 +0100
commit86e621ad289638d7bf1440092cffd4c2ac64f982 (patch)
tree0abc051952d4d7d581bfe7b2d7403972ebd7327f /src/pattern_sim.c
parenteaee0f6415b06f40ff7f477328f9f26f01c4d7ec (diff)
Remove old reflections.h
Diffstat (limited to 'src/pattern_sim.c')
-rw-r--r--src/pattern_sim.c30
1 files changed, 13 insertions, 17 deletions
diff --git a/src/pattern_sim.c b/src/pattern_sim.c
index 6d3c07ab..ba760e32 100644
--- a/src/pattern_sim.c
+++ b/src/pattern_sim.c
@@ -29,9 +29,10 @@
#include "hdf5-file.h"
#include "detector.h"
#include "peaks.h"
-#include "reflections.h"
#include "beam-parameters.h"
#include "symmetry.h"
+#include "reflist.h"
+#include "reflist-utils.h"
static void show_help(const char *s)
@@ -412,34 +413,29 @@ int main(int argc, char *argv[])
} else {
- int i;
- ReflItemList *items;
+ RefList *reflections;
+
+ reflections = read_reflections(intfile);
+ free(intfile);
if ( grad == GRADIENT_PHASED ) {
- phases = new_list_phase();
+ phases = phases_from_list(reflections);
} else {
phases = NULL;
}
- intensities = new_list_intensity();
- phases = new_list_phase();
- flags = new_list_flag();
- items = read_reflections(intfile, intensities, phases,
- NULL, NULL);
- free(intfile);
-
- for ( i=0; i<num_items(items); i++ ) {
- struct refl_item *it = get_item(items, i);
- set_flag(flags, it->h, it->k, it->l, 1);
- }
+ intensities = intensities_from_list(reflections);
+ phases = phases_from_list(reflections);
+ flags = flags_from_list(reflections);
/* Check that the intensities have the correct symmetry */
- if ( check_symmetry(items, sym) ) {
+ if ( check_list_symmetry(reflections, sym) ) {
ERROR("The input reflection list does not appear to"
" have symmetry %s\n", sym);
return 1;
}
- delete_items(items);
+ reflist_free(reflections);
+
}
image.det = get_detector_geometry(geometry);