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authorThomas White <taw@bitwiz.org.uk>2011-08-17 13:36:21 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:36 +0100
commit19f5640603a040f3e1640a2b34c68cb04e1f8e18 (patch)
tree621c69bb1b21df5928a3805aa9150995ebc74e78 /src
parent802ba6d8d99ed9fc473cdda9172da83be654a150 (diff)
Be more helpful if a list symmetry is wrong
Diffstat (limited to 'src')
-rw-r--r--src/reflist-utils.c18
1 files changed, 17 insertions, 1 deletions
diff --git a/src/reflist-utils.c b/src/reflist-utils.c
index d6272217..999ceeaf 100644
--- a/src/reflist-utils.c
+++ b/src/reflist-utils.c
@@ -144,8 +144,24 @@ int check_list_symmetry(RefList *list, const SymOpList *sym)
assert(found != 0); /* That'd just be silly */
if ( found > 1 ) {
+
free_symopmask(mask);
- STATUS("Found %i %i %i: %i times\n", h, k, l, found);
+ STATUS("Found %i %i %i: %i times:\n", h, k, l, found);
+
+ for ( j=0; j<n; j++ ) {
+
+ signed int he, ke, le;
+ Reflection *f;
+
+ get_equiv(sym, mask, j, h, k, l, &he, &ke, &le);
+
+ f = find_refl(list, he, ke, le);
+ if ( f != NULL ) {
+ STATUS("%3i %3i %3i\n", he, ke, le);
+ }
+
+ }
+
return 1; /* Symmetry is wrong! */
}