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authorThomas White <taw@physics.org>2011-07-20 17:53:27 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:33 +0100
commitb143429764665a75dd3baf8c5115bf8553d18d71 (patch)
treeaee21b359e82c9c107e5f82de43c2d703c45538b /src/symmetry.h
parent012073a3be1bb523588b83d8be0589a5d00676aa (diff)
Symmetry stuff
Diffstat (limited to 'src/symmetry.h')
-rw-r--r--src/symmetry.h21
1 files changed, 13 insertions, 8 deletions
diff --git a/src/symmetry.h b/src/symmetry.h
index 4dcaae06..45ffe318 100644
--- a/src/symmetry.h
+++ b/src/symmetry.h
@@ -24,22 +24,27 @@
**/
typedef struct _symoplist SymOpList;
-extern void free_symoplist(SymOpList *ops);
+/**
+ * SymOpMask
+ *
+ * Opaque type.
+ **/
+typedef struct _symopmask SymOpMask;
+extern void free_symoplist(SymOpList *ops);
extern SymOpList *get_pointgroup(const char *sym);
-
extern const char *symmetry_name(const SymOpList *ops);
-extern SymOpList *special_position(const SymOpList *ops,
- signed int h, signed int k, signed int l);
+extern SymOpMask *new_symopmask(const SymOpList *ops);
+extern void free_symopmask(SymOpMask *m);
+extern void special_position(const SymOpList *ops, SymOpMask *m,
+ signed int h, signed int k, signed int l);
extern void get_asymm(const SymOpList *ops,
signed int h, signed int k, signed int l,
signed int *hp, signed int *kp, signed int *lp);
-
-extern int num_equivs(const SymOpList *ops);
-
-extern void get_equiv(const SymOpList *ops, int idx,
+extern int num_equivs(const SymOpList *ops, const SymOpMask *m);
+extern void get_equiv(const SymOpList *ops, const SymOpMask *m, int idx,
signed int h, signed int k, signed int l,
signed int *he, signed int *ke, signed int *le);