/* * symmetry.h * * Symmetry * * (c) 2006-2010 Thomas White * * Part of CrystFEL - crystallography with a FEL * */ #ifndef SYMMETRY_H #define SYMMETRY_H #ifdef HAVE_CONFIG_H #include #endif /** * SymOpList * * Opaque type. **/ typedef struct _symoplist SymOpList; 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 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, signed int h, signed int k, signed int l, signed int *he, signed int *ke, signed int *le); extern SymOpList *get_twins(const SymOpList *source, const SymOpList *target); #endif /* SYMMETRY_H */