diff options
| -rw-r--r-- | src/symmetry.c | 16 | ||||
| -rw-r--r-- | src/utils.c | 27 | ||||
| -rw-r--r-- | src/utils.h | 2 |
3 files changed, 34 insertions, 11 deletions
diff --git a/src/symmetry.c b/src/symmetry.c index bca06b48..055d7d60 100644 --- a/src/symmetry.c +++ b/src/symmetry.c @@ -311,8 +311,7 @@ static ReflItemList *coset_decomp(signed int hs, signed int ks, signed int ls, ReflItemList *get_twins(ReflItemList *items, const char *sym) { int i; - int n_twins = 1; - ReflItemList *max_ops = NULL; + ReflItemList *ops = new_items();; /* Run the coset decomposition for every reflection in the "pattern", * and see which gives the highest number of possibilities. This @@ -322,7 +321,7 @@ ReflItemList *get_twins(ReflItemList *items, const char *sym) signed int h, k, l; struct refl_item *item; - ReflItemList *ops; + ReflItemList *new_ops; item = get_item(items, i); @@ -330,14 +329,11 @@ ReflItemList *get_twins(ReflItemList *items, const char *sym) k = item->k; l = item->l; - ops = coset_decomp(h, k, l, sym); - if ( num_items(ops) > n_twins ) { - n_twins = num_items(ops); - delete_items(max_ops); - max_ops = ops; - } + new_ops = coset_decomp(h, k, l, sym); + union_op_items(ops, new_ops); + delete_items(new_ops); } - return max_ops; + return ops; } diff --git a/src/utils.c b/src/utils.c index 1e54f923..21ba882f 100644 --- a/src/utils.c +++ b/src/utils.c @@ -363,6 +363,17 @@ int find_item(ReflItemList *items, } +static int find_op(ReflItemList *items, int op) +{ + int i; + + for ( i=0; i<items->n_items; i++ ) { + if ( items->items[i].op == op ) return 1; + } + return 0; +} + + struct refl_item *get_item(ReflItemList *items, int i) { if ( i >= items->n_items ) return NULL; @@ -391,3 +402,19 @@ unsigned int *items_to_counts(ReflItemList *items) return c; } + + +void union_op_items(ReflItemList *items, ReflItemList *newi) +{ + int n, i; + + n = num_items(newi); + for ( i=0; i<n; i++ ) { + + struct refl_item *r = get_item(newi, i); + if ( find_op(items, r->op) ) continue; + + add_item_with_op(items, r->h, r->k, r->l, r->op); + + } +} diff --git a/src/utils.h b/src/utils.h index 46ce51a6..a7433d28 100644 --- a/src/utils.h +++ b/src/utils.h @@ -199,7 +199,7 @@ extern int find_item(ReflItemList *items, extern struct refl_item *get_item(ReflItemList *items, int i); extern int num_items(const ReflItemList *items); extern unsigned int *items_to_counts(ReflItemList *items); - +extern void union_op_items(ReflItemList *items, ReflItemList *newi); /* ------------------------------ Message macros ---------------------------- */ |