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/*
* main.c
*
* (c) 2006-2009 Thomas White <thomas.white@desy.de>
*
* pattern_sim - Simulate diffraction patterns from small crystals
*
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include <stdarg.h>
#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include <unistd.h>
#include "image.h"
#include "relrod.h"
#include "cell.h"
#include "utils.h"
#include "hdf5-file.h"
/* Crystal size in metres */
#define CRYSTAL_SIZE (500.0e-9)
static void main_show_help(const char *s)
{
printf("Syntax: %s <file1.h5> <file2.h5> [...]\n\n", s);
printf("Index diffraction patterns\n\n");
printf(" -h Display this help message\n");
}
int main(int argc, char *argv[])
{
int c, i;
UnitCell *cell;
struct image image;
int nrefl;
float t;
while ((c = getopt(argc, argv, "h")) != -1) {
switch ( c ) {
case 'h' : {
main_show_help(argv[0]);
return 0;
}
}
}
/* Define unit cell */
cell = cell_new_from_parameters(28.10e-9,
28.10e-9,
16.52e-9,
deg2rad(90.0),
deg2rad(90.0),
deg2rad(120.0));
/* Define image parameters */
image.width = 512;
image.height = 512;
image.omega = deg2rad(40.0);
image.fmode = FORMULATION_CLEN;
image.x_centre = 255.5;
image.y_centre = 255.5;
image.camera_len = 0.2; /* 20 cm */
image.resolution = 5120; /* 512 pixels in 10 cm */
image.lambda = 0.2e-9; /* LCLS wavelength */
image.data = malloc(512*512*2);
for ( t=0.0; t<180.0; t+=10.0 ) {
char filename[32];
memset(image.data, 0, 512*512*2);
image.tilt = deg2rad(t);
/* Calculate reflections */
get_reflections(&image, cell, 1.0/CRYSTAL_SIZE);
/* Construct the image */
nrefl = image_feature_count(image.rflist);
for ( i=0; i<nrefl; i++ ) {
struct imagefeature *f;
int x, y;
f = image_get_feature(image.rflist, i);
x = f->x;
y = f->y; /* Discards digits after the decimal point */
image.data[y*image.width+x] = 1;
}
/* Write the output file */
snprintf(filename, 32, "simulated-%.0f.h5", t);
hdf5_write(filename, image.data, image.width, image.height);
}
return 0;
}
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