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
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
|
/*
* stream.c
*
* Indexed stream tools
*
* (c) 2006-2010 Thomas White <taw@physics.org>
*
* Part of CrystFEL - crystallography with a FEL
*
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include "cell.h"
#include "utils.h"
int count_patterns(FILE *fh)
{
char *rval;
int n_total_patterns = 0;
do {
char line[1024];
rval = fgets(line, 1023, fh);
if ( rval == NULL ) continue;
if ( (strncmp(line, "Reflections from indexing", 25) == 0)
|| (strncmp(line, "New pattern", 11) == 0) ) {
n_total_patterns++;
}
} while ( rval != NULL );
return n_total_patterns;
}
static UnitCell *read_orientation_matrix(FILE *fh)
{
float u, v, w;
struct rvec as, bs, cs;
UnitCell *cell;
char line[1024];
if ( fgets(line, 1023, fh) == NULL ) return NULL;
if ( sscanf(line, "astar = %f %f %f", &u, &v, &w) != 3 ) {
ERROR("Couldn't read a-star\n");
return NULL;
}
as.u = u*1e9; as.v = v*1e9; as.w = w*1e9;
if ( fgets(line, 1023, fh) == NULL ) return NULL;
if ( sscanf(line, "bstar = %f %f %f", &u, &v, &w) != 3 ) {
ERROR("Couldn't read b-star\n");
return NULL;
}
bs.u = u*1e9; bs.v = v*1e9; bs.w = w*1e9;
if ( fgets(line, 1023, fh) == NULL ) return NULL;
if ( sscanf(line, "cstar = %f %f %f", &u, &v, &w) != 3 ) {
ERROR("Couldn't read c-star\n");
return NULL;
}
cs.u = u*1e9; cs.v = v*1e9; cs.w = w*1e9;
cell = cell_new_from_axes(as, bs, cs);
return cell;
}
int find_chunk(FILE *fh, UnitCell **cell, char **filename)
{
char line[1024];
char *rval = NULL;
do {
rval = fgets(line, 1023, fh);
if ( rval == NULL ) continue;
chomp(line);
if ( strncmp(line, "Reflections from indexing", 25) != 0 ) {
continue;
}
*filename = strdup(line+29);
/* Skip two lines (while checking for errors) */
rval = fgets(line, 1023, fh);
if ( rval == NULL ) continue;
rval = fgets(line, 1023, fh);
if ( rval == NULL ) continue;
*cell = read_orientation_matrix(fh);
if ( *cell == NULL ) {
STATUS("Got filename but no cell for %s\n", *filename);
continue;
}
return 0;
} while ( rval != NULL );
return 1;
}
|