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/*
* index.c
*
* Perform indexing (somehow)
*
* (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 <math.h>
#include <string.h>
#include <assert.h>
#include "image.h"
#include "utils.h"
#include "peaks.h"
#include "dirax.h"
#include "sfac.h"
#include "detector.h"
#include "index.h"
/* x,y in pixels relative to central beam */
int map_position(struct image *image, double x, double y,
double *rx, double *ry, double *rz)
{
/* "Input" space */
double d;
/* Angular description of reflection */
double twotheta, psi, k;
k = 1.0 / image->lambda;
if ( image->fmode == FORMULATION_CLEN ) {
/* Convert pixels to metres */
x /= image->resolution;
y /= image->resolution; /* Convert pixels to metres */
d = sqrt((x*x) + (y*y));
twotheta = atan2(d, image->camera_len);
} else if (image->fmode == FORMULATION_PIXELSIZE ) {
/* Convert pixels to metres^-1 */
x *= image->pixel_size;
y *= image->pixel_size; /* Convert pixels to metres^-1 */
d = sqrt((x*x) + (y*y));
twotheta = atan2(d, k);
} else {
ERROR("Unrecognised formulation mode in mapping_scale.\n");
return -1;
}
psi = atan2(y, x);
*rx = k*sin(twotheta)*cos(psi);
*ry = k*sin(twotheta)*sin(psi);
*rz = k - k*cos(twotheta);
return 0;
}
void index_pattern(struct image *image, int no_index, int use_dirax)
{
int i;
/* Map positions to 3D */
for ( i=0; i<image_feature_count(image->features); i++ ) {
struct imagefeature *f;
f = image_get_feature(image->features, i);
if ( f == NULL ) continue;
if ( f->y >=512 ) {
/* Top half of CCD */
map_position(image, f->x-UPPER_CX, f->y-UPPER_CY,
&f->rx, &f->ry, &f->rz);
} else {
/* Lower half of CCD */
map_position(image, f->x-LOWER_CX, f->y-LOWER_CY,
&f->rx, &f->ry, &f->rz);
}
}
if ( use_dirax ) {
UnitCell *new_cell;
run_dirax(image, no_index);
new_cell = match_cell(image->indexed_cell,
image->molecule->cell);
if ( new_cell != NULL ) image->indexed_cell = new_cell;
return;
}
}
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