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
68
69
70
71
72
73
74
75
76
77
78
79
80
81
|
/*
* post-refinement.h
*
* Post refinement
*
* Copyright © 2012 Deutsches Elektronen-Synchrotron DESY,
* a research centre of the Helmholtz Association.
*
* Authors:
* 2010-2012 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 POST_REFINEMENT_H
#define POST_REFINEMENT_H
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include <stdio.h>
#include "image.h"
#include "utils.h"
#include "crystal.h"
#include "geometry.h"
/* Refineable parameters.
* Don't forget to add new things to backup_crystal() et al.! */
enum {
REF_ASX,
REF_ASY,
REF_ASZ,
REF_BSX,
REF_BSY,
REF_BSZ,
REF_CSX,
REF_CSY,
REF_CSZ,
NUM_PARAMS,
REF_DIV,
REF_R,
};
struct prdata
{
int n_filtered;
};
extern struct prdata pr_refine(Crystal *cr, const RefList *full,
PartialityModel pmodel);
/* Exported so it can be poked by tests/pr_gradient_check */
extern double p_gradient(Crystal *cr, int k, Reflection *refl,
PartialityModel pmodel);
extern double l_gradient(Crystal *cr, int k, Reflection *refl,
PartialityModel pmodel);
#endif /* POST_REFINEMENT_H */
|