1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
|
/*
* symmetry.h
*
* Symmetry
*
* (c) 2006-2010 Thomas White <taw@physics.org>
*
* Part of CrystFEL - crystallography with a FEL
*
*/
#ifndef SYMMETRY_H
#define SYMMETRY_H
#ifdef HAVE_CONFIG_H
#include <config.h>
#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 */
|
