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authorThomas White <taw@bitwiz.org.uk>2010-12-04 11:10:07 +0100
committerThomas White <taw@physics.org>2012-02-22 15:27:07 +0100
commitb16460f117beb38af97698762e1718a8c6f7fa37 (patch)
treec346c420941ddc353093c18680a4f23f394ac690 /src/pattern_sim.c
parent131be2e21e135cf7f4a5d5ed65ed804d8794fd29 (diff)
Tighter symmetry check
Diffstat (limited to 'src/pattern_sim.c')
-rw-r--r--src/pattern_sim.c8
1 files changed, 8 insertions, 0 deletions
diff --git a/src/pattern_sim.c b/src/pattern_sim.c
index 92a0765a..6c48c6ec 100644
--- a/src/pattern_sim.c
+++ b/src/pattern_sim.c
@@ -32,6 +32,7 @@
#include "sfac.h"
#include "reflections.h"
#include "beam-parameters.h"
+#include "symmetry.h"
static void show_help(const char *s)
@@ -445,6 +446,13 @@ int main(int argc, char *argv[])
set_flag(flags, it->h, it->k, it->l, 1);
}
+ /* Check that the intensities have the correct symmetry */
+ if ( check_symmetry(items, sym) ) {
+ ERROR("The input reflection list does not appear to"
+ " have symmetry %s\n", sym);
+ return 1;
+ }
+
delete_items(items);
}