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
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
|
/*
* reflist.h
*
* Fast reflection/peak list
*
* (c) 2011 Thomas White <taw@physics.org>
*
* Part of CrystFEL - crystallography with a FEL
*
*/
#ifndef REFLIST_H
#define REFLIST_H
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
typedef struct _reflist RefList;
typedef struct _reflection Reflection;
#define INDICES signed int h, signed int k, signed int l
/* Creation/deletion */
extern RefList *reflist_new(void);
extern void reflist_free(RefList *list);
/* Search */
extern Reflection *find_refl(RefList *list, INDICES);
extern Reflection *next_found_refl(Reflection *refl);
/* Get */
extern double get_excitation_error(Reflection *refl);
extern void get_detector_pos(Reflection *refl, double *x, double *y);
extern void get_indices(Reflection *refl,
signed int *h, signed int *k, signed int *l);
extern double get_partiality(Reflection *refl);
extern double get_intensity(Reflection *refl);
extern void get_partial(Reflection *refl, double *r1, double *r2, double *p,
int *clamp_low, int *clamp_high);
extern int get_scalable(Reflection *refl);
/* Set */
extern void set_detector_pos(Reflection *refl, double exerr,
double x, double y);
extern void set_partial(Reflection *refl, double r1, double r2, double p,
double clamp_low, double clamp_high);
extern void set_indices(Reflection *refl,
signed int h, signed int k, signed int l);
extern void set_int(Reflection *refl, double intensity);
extern void set_scalable(Reflection *refl, int scalable);
/* Insertion */
extern Reflection *add_refl(RefList *list, INDICES);
/* Deletion */
extern void delete_refl(Reflection *refl);
/* Iteration */
extern Reflection *first_refl(RefList *list);
extern Reflection *next_refl(Reflection *refl);
/* Voodoo */
extern void optimise_reflist(RefList *list);
#endif /* REFLIST_H */
|
