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/*
* 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"
#include "beam-parameters.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"
" -b, --beam=<file> Get beam parameters (specifically, wavelength)"
" from file if non present in the HDF5 file.\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;
char *beamf = NULL;
struct beam_params *beam = NULL;
/* Long options */
const struct option longopts[] = {
{"help", 0, NULL, 'h'},
{"input", 1, NULL, 'i'},
{"geometry", 1, NULL, 'g'},
{"beam", 1, NULL, 'b'},
{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;
case 'b' :
beamf = 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;
}
if ( beamf != NULL ) {
beam = get_beam_parameters(beamf);
free(beamf);
}
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);
if ( image.lambda < 0.0 ) {
if ( beam != NULL ) {
image.lambda = beam->photon_energy;
} else {
ERROR("No wavelength in file, so you need to give "
"a beam parameters file with -b.\n");
return 1;
}
}
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, 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);
}
}
free(beamf);
return 0;
}
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