blob: ca2153990cadbe4460c2aaa96d6f409b1eac92c8 (
plain)
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
|
/*
* crystal.h
*
* A class representing a single crystal
*
* Copyright © 2013 Deutsches Elektronen-Synchrotron DESY,
* a research centre of the Helmholtz Association.
*
* Authors:
* 2013 Thomas White <taw@physics.org>
*
* This file is part of CrystFEL.
*
* CrystFEL is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* CrystFEL is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with CrystFEL. If not, see <http://www.gnu.org/licenses/>.
*
*/
#ifndef CRYSTAL_H
#define CRYSTAL_H
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include "cell.h"
#include "reflist.h"
/**
* Crystal:
*
* This data structure is opaque. You must use the available accessor functions
* to read and write its contents.
**/
typedef struct _crystal Crystal;
extern Crystal *crystal_new(void);
extern void crystal_free(Crystal *cryst);
extern UnitCell *crystal_get_cell(Crystal *cryst);
extern double crystal_get_profile_radius(Crystal *cryst);
extern RefList *crystal_get_reflections(Crystal *cryst);
extern double crystal_get_resolution_limit(Crystal *cryst);
extern long long int crystal_get_num_saturated_reflections(Crystal *cryst);
extern void crystal_set_cell(Crystal *cryst, UnitCell *cell);
extern void crystal_set_profile_radius(Crystal *cryst, double r);
extern void crystal_set_reflections(Crystal *cryst, RefList *reflist);
extern void crystal_set_resolution_limit(Crystal *cryst, double res);
extern void crystal_set_num_saturated_reflections(Crystal *cryst,
long long int n);
#endif /* CRYSTAL_H */
|
