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
112
113
114
115
116
117
118
119
120
121
122
123
124
125
|
/*
* powder_plot.c
*
* Plot powder patterns
*
* (c) 2006-2010 Thomas White <taw@physics.org>
*
* Part of CrystFEL - crystallography with a FEL
*
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include <stdarg.h>
#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include <unistd.h>
#include <getopt.h>
#include "utils.h"
#include "image.h"
#include "detector.h"
#include "index.h"
#include "hdf5-file.h"
static void show_help(const char *s)
{
printf("Syntax: %s [options] <file.h5>\n\n", s);
printf(
"Plot a powder pattern as a 1D graph using the detector geometry.\n"
"\n"
" -h, --help Display this help message.\n"
" -g. --geometry=<file> Get detector geometry from file.\n"
" -i, --input=<file> Input filename.\n"
"\n");
}
int main(int argc, char *argv[])
{
int c;
struct image image;
int x, y;
struct hdfile *hdfile;
char *filename = NULL;
char *geometry = NULL;
/* Long options */
const struct option longopts[] = {
{"help", 0, NULL, 'h'},
{"input", 1, NULL, 'i'},
{"geometry", 1, NULL, 'g'},
{0, 0, NULL, 0}
};
/* Short options */
while ((c = getopt_long(argc, argv, "hi:g:", longopts, NULL)) != -1) {
switch (c) {
case 'h' :
show_help(argv[0]);
return 0;
case 0 :
break;
case 'i' :
filename = strdup(optarg);
break;
case 'g' :
geometry = strdup(optarg);
break;
default :
return 1;
}
}
if ( filename == NULL ) {
ERROR("You must specify the input filename with -i\n");
return 1;
}
if ( geometry == NULL ) {
ERROR("You need to specify a geometry file with --geometry\n");
return 1;
}
image.det = get_detector_geometry(geometry);
if ( image.det == NULL ) {
ERROR("Failed to read detector geometry from '%s'\n", geometry);
return 1;
}
free(geometry);
hdfile = hdfile_open(filename);
hdfile_set_image(hdfile, "/data/data");
hdf5_read(hdfile, &image, 1, 2000.0); /* FIXME: Hardcoded */
for ( x=0; x<image.width; x++ ) {
for ( y=0; y<image.height; y++ ) {
double q;
int intensity;
struct rvec r;
r = get_q(&image, x, y, 1, NULL, 1.0/image.lambda);
q = modulus(r.u, r.v, r.w);
intensity = image.data[x + image.width*y];
printf("%5i\t%5i\t%7.3f\t%7i\n", x, y, q/1.0e9, intensity);
}
}
return 0;
}
|
