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/*
* 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 int find_cell(FILE *fh)
{
int done = 0;
int found = 0;
do {
long pos;
char *rval;
float u, v, w;
char line[1024];
pos = ftell(fh);
rval = fgets(line, 1023, fh);
if ( rval == NULL ) {
STATUS("Read error in find_cell()\n");
done = 1;
}
chomp(line);
if ( strncmp(line, "Reflections from indexing", 25) == 0 ) {
done = 1;
}
if ( sscanf(line, "astar = %f %f %f", &u, &v, &w) == 3 ) {
fseek(fh, pos, SEEK_SET);
done = 1;
found = 1;
}
} while ( !done );
return found;
}
static UnitCell *read_orientation_matrix(FILE *fh)
{
float u, v, w;
struct rvec as, bs, cs;
UnitCell *cell;
char line[1024];
if ( find_cell(fh) == 0 ) {
ERROR("Couldn't find orientation matrix.\n");
return NULL;
}
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;
}
static UnitCell *read_orientation_matrix_rick(FILE *fh)
{
float a, b, c;
struct rvec as, bs, cs;
UnitCell *cell;
char line[1024];
if ( fgets(line, 1023, fh) == NULL ) return NULL;
if ( sscanf(line, "%f %f %f", &a, &b, &c) != 3 ) {
ERROR("Couldn't read a-star\n");
return NULL;
}
as.u = a*1e10; bs.u = b*1e10; cs.u = c*1e10;
if ( fgets(line, 1023, fh) == NULL ) return NULL;
if ( sscanf(line, "%f %f %f", &a, &b, &c) != 3 ) {
ERROR("Couldn't read b-star\n");
return NULL;
}
as.v = a*1e10; bs.v = b*1e10; cs.v = c*1e10;
if ( fgets(line, 1023, fh) == NULL ) return NULL;
if ( sscanf(line, "%f %f %f", &a, &b, &c) != 3 ) {
ERROR("Couldn't read c-star\n");
return NULL;
}
as.w = -a*1e10; bs.w = -b*1e10; cs.w = -c*1e10;
cell = cell_new_from_axes(as, bs, cs);
return cell;
}
int find_chunk(FILE *fh, UnitCell **cell, char **filename, double *ev)
{
char line[1024];
char *rval = NULL;
do {
rval = fgets(line, 1023, fh);
if ( rval == NULL ) continue;
chomp(line);
if ( strncmp(line, "photon_energy_eV = ", 19) == 0 ) {
*ev = atof(line+19);
}
/* Look for the first line of a chunk */
if ( (strncmp(line, "Reflections from indexing", 25) != 0)
&& (strncmp(line, "## h5FilePath:", 14) != 0 ) ) {
continue;
}
/* Read in "Tom Mode"? */
if ( strncmp(line, "Reflections from indexing", 25) == 0 ) {
*filename = strdup(line+29);
*cell = read_orientation_matrix(fh);
}
/* Read in "Rick Mode"? */
if ( strncmp(line, "## h5FilePath:", 14) == 0 ) {
/* Filename is on next line */
rval = fgets(line, 1023, fh);
if ( rval == NULL ) continue;
chomp(line);
*filename = strdup(line);
/* Look for the start of the orientation matrix */
do {
rval = fgets(line, 1023, fh);
if ( rval == NULL ) continue;
} while ( strncmp(line, "## A:", 5) != 0 );
*cell = read_orientation_matrix_rick(fh);
}
if ( *cell == NULL ) {
STATUS("Got filename but no cell for %s\n", *filename);
continue;
}
return 0;
} while ( rval != NULL );
return 1;
}
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