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authorThomas White <taw@physics.org>2010-07-14 12:08:12 +0200
committerThomas White <taw@physics.org>2012-02-22 15:26:53 +0100
commitd8c885d3057a05cbb7f3104540f61699d6ef075b (patch)
tree9ece901890c4eb66e68a228ca597b15b3c2ac12a /src/symmetry.c
parent9c34a0bf65ae8d2fa4ed5bd2cf60b1c9ac5f2351 (diff)
process_hkl: Improve de-twinning
Diffstat (limited to 'src/symmetry.c')
-rw-r--r--src/symmetry.c7
1 files changed, 3 insertions, 4 deletions
diff --git a/src/symmetry.c b/src/symmetry.c
index 31470db7..69a2e55c 100644
--- a/src/symmetry.c
+++ b/src/symmetry.c
@@ -265,9 +265,8 @@ const char *get_holohedral(const char *sym)
* To count the number of possibilities, use num_items() on the result.
*/
static ReflItemList *coset_decomp(signed int hs, signed int ks, signed int ls,
- const char *mero)
+ const char *holo, const char *mero)
{
- const char *holo = get_holohedral(mero);
int n_mero, n_holo;
int i;
signed int h, k, l;
@@ -313,7 +312,7 @@ static ReflItemList *coset_decomp(signed int hs, signed int ks, signed int ls,
* To use the result, call get_general_equiv() on each reflection using
* the holohedral point group (use get_holohedral() for this), and for "idx"
* give each "op" field from the list returned by this function. */
-ReflItemList *get_twins(ReflItemList *items, const char *sym)
+ReflItemList *get_twins(ReflItemList *items, const char *holo, const char *mero)
{
int i;
ReflItemList *ops = new_items();;
@@ -334,7 +333,7 @@ ReflItemList *get_twins(ReflItemList *items, const char *sym)
k = item->k;
l = item->l;
- new_ops = coset_decomp(h, k, l, sym);
+ new_ops = coset_decomp(h, k, l, holo, mero);
union_op_items(ops, new_ops);
delete_items(new_ops);