aboutsummaryrefslogtreecommitdiff
path: root/src/post-refinement.h
blob: abf2364b44e1b8fe8c87f4ec32c63d9a04b870c7 (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
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,
	REF_R,
	NUM_PARAMS,
	REF_DIV,
};


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 */