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
49
50
51
|
/*
* reflist-utils.h
*
* Utilities to complement the core reflist.c
*
* (c) 2006-2011 Thomas White <taw@physics.org>
*
* Part of CrystFEL - crystallography with a FEL
*
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#ifndef REFLIST_UTILS_H
#define REFLIST_UTILS_H
#include "reflist.h"
#include "cell.h"
#include "symmetry.h"
#define REFLECTION_END_MARKER "End of reflections"
extern void write_reflections_to_file(FILE *fh, RefList *list, UnitCell *cell);
extern int write_reflist(const char *filename, RefList *list, UnitCell *cell);
extern RefList *read_reflections_from_file(FILE *fh);
extern RefList *read_reflections(const char *filename);
extern int check_list_symmetry(RefList *list, const SymOpList *sym);
extern int find_equiv_in_list(RefList *list, signed int h, signed int k,
signed int l, const SymOpList *sym, signed int *hu,
signed int *ku, signed int *lu);
extern RefList *asymmetric_indices(RefList *in, const SymOpList *sym);
extern void resolution_limits(RefList *list, UnitCell *cell,
double *rmin, double *rmax);
extern double max_intensity(RefList *list);
extern RefList *res_cutoff(RefList *list, UnitCell *cell,
double min, double max);
#endif /* REFLIST_UTILS_H */
|
