diff options
author | Thomas White <taw@bitwiz.org.uk> | 2011-08-17 13:36:21 +0200 |
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committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:36 +0100 |
commit | 19f5640603a040f3e1640a2b34c68cb04e1f8e18 (patch) | |
tree | 621c69bb1b21df5928a3805aa9150995ebc74e78 /src | |
parent | 802ba6d8d99ed9fc473cdda9172da83be654a150 (diff) |
Be more helpful if a list symmetry is wrong
Diffstat (limited to 'src')
-rw-r--r-- | src/reflist-utils.c | 18 |
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! */ } |