/* * 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 SymOpList *special_position(SymOpList *ops, signed int h, signed int k, signed int l); extern void get_asymm(signed int h, signed int k, signed int l, signed int *hp, signed int *kp, signed int *lp, const char *sym); extern int num_equivs(signed int h, signed int k, signed int l, const char *sym); extern int num_general_equivs(const char *sym); extern void get_equiv(signed int h, signed int k, signed int l, signed int *he, signed int *ke, signed int *le, const char *sym, int idx); extern void get_general_equiv(signed int h, signed int k, signed int l, signed int *he, signed int *ke, signed int *le, const char *sym, int idx); extern SymOpList *get_twins(SymOpList *source, SymOpList *target); #endif /* SYMMETRY_H */