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authorValerio Mariani <valerio.mariani@desy.de>2015-01-27 14:47:23 +0100
committervalerio.mariani@desy.de <valerio.mariani@desy.de>2015-01-27 15:01:18 +0100
commita444eb2a9bfdb1a69dfb4959fcd9e1ba4aeee8f6 (patch)
treea02cb2918abed324bdeb43dace488f858368343b /src/geoptimiser.c
parentab916aa452f9e56d4246e1fbfebf2b3313f7caf1 (diff)
Added Geoptimiser
Diffstat (limited to 'src/geoptimiser.c')
-rw-r--r--src/geoptimiser.c2440
1 files changed, 2440 insertions, 0 deletions
diff --git a/src/geoptimiser.c b/src/geoptimiser.c
new file mode 100644
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--- /dev/null
+++ b/src/geoptimiser.c
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+/*
+ * geoptimiser.c
+ *
+ * Refines detector geometry
+ *
+ * Copyright © 2014 Deutsches Elektronen-Synchrotron DESY,
+ * a research centre of the Helmholtz Association.
+ *
+ * Authors:
+ * 2014 Thomas White <taw@physics.org>
+ * Oleksandr Yefanov
+ * Valerio Mariani
+ *
+ * This file is part of CrystFEL.
+ *
+ * CrystFEL is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation, either version 3 of the License, or
+ * (at your option) any later version.
+ *
+ * CrystFEL is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with CrystFEL. If not, see <http://www.gnu.org/licenses/>.
+ *
+ */
+
+
+#include <stdlib.h>
+#include <stdio.h>
+#include <string.h>
+#include <getopt.h>
+#include <math.h>
+#include <ctype.h>
+#include <time.h>
+#include <float.h>
+
+#include <detector.h>
+#include <stream.h>
+#include <version.h>
+#include <crystal.h>
+#include <image.h>
+#include <utils.h>
+
+struct imagefeature;
+
+static void show_help(const char *s)
+{
+ printf("Syntax: %s [options] input.stream\n\n", s);
+ printf(
+"Refines detector geometry.\n"
+"\n"
+" -h, --help Display this help message.\n"
+"\n"
+" --version Print CrystFEL version number and\n"
+" exit.\n"
+" -i, --input=<filename> Specify stream file to be used for \n"
+" geometry optimization.\n"
+" -g. --geometry=<file> Get detector geometry from file.\n"
+" -o, --output=<filename> Output stream.\n"
+" -q, --quadrants=<rg_coll> Rigid group collection for quadrants.\n"
+" -c, --connected=<rg_coll> Rigid group collection for connected\n"
+" ASICs.\n"
+" -x, --min-num-peaks-per-pixel=<num> Minimum number of peaks per pixel.\n"
+" Default: 3. \n"
+" -p, --min-num-peaks-per-panel=<num> Minimum number of peaks per pixel.\n"
+" Default: 100.\n"
+" -l, --most-freq-clen Use only the most frequent camera\n"
+" length.\n"
+" -s, --individual-dist-offset Use a distance offset for each panel.\n"
+" Default: whole-detector offset.\n"
+" --no-stretch Do not optimize distance offset.\n"
+" Default: distance offset is optimized\n"
+" -m --max-peak-dist=<num> Maximum distance between predicted and\n"
+" detected peaks\n"
+" Default: 4.0.\n"
+);
+}
+
+
+struct connected_data
+{
+ double sh_x;
+ double sh_y;
+ double cang;
+ double cstr;
+ int num_quad;
+ int num_peaks_per_pixel;
+ unsigned int n_peaks_in_conn;
+ char *name;
+};
+
+
+struct pattern {
+ ImageFeatureList *im_list;
+ RefList *ref_list;
+ double clen;
+ UnitCell **unit_cells;
+ int n_unit_cells;
+ double lambda;
+ char *filename;
+};
+
+
+struct pattern_list {
+ struct pattern **patterns;
+ int n_patterns;
+};
+
+
+struct single_pix_displ
+{
+ double dfs;
+ double dss;
+ struct single_pix_displ* ne;
+};
+
+
+struct connected_stretch_and_angles
+{
+ double *stretch_coeff;
+ unsigned int *num_angles;
+ int num_coeff;
+};
+
+
+static void compute_x_y(struct detector *det, double fs, double ss,
+ double * x, double *y)
+{
+ struct panel *p;
+ double xs, ys;
+ double dfs, dss;
+
+ p = find_panel(det, fs, ss);
+
+ dss = ss-p->min_ss;
+ dfs = fs-p->min_fs;
+
+ xs = dfs*p->fsx + dss*p->ssx;
+ ys = dfs*p->fsy + dss*p->ssy;
+
+ *x = xs + p->cnx;
+ *y = ys + p->cny;
+}
+
+
+static Reflection *find_closest_reflection(RefList *rlist,
+ double fx, double fy,
+ struct detector *det,
+ double *d)
+{
+
+ double dmin = HUGE_VAL;
+ Reflection *closest = NULL;
+ Reflection *refl;
+ RefListIterator *iter;
+
+
+ for ( refl = first_refl(rlist, &iter);
+ refl != NULL;
+ refl = next_refl(refl, iter) )
+ {
+ double ds;
+ double rfs, rss;
+ double rx, ry;
+
+ get_detector_pos(refl, &rfs, &rss);
+
+ compute_x_y(det, rfs, rss, &rx, &ry);
+
+ ds = distance(rx, ry, fx, fy);
+
+ if ( ds < dmin ) {
+ dmin = ds;
+ closest = refl;
+ }
+
+ }
+
+ if ( dmin < HUGE_VAL ) {
+ *d = dmin;
+ return closest;
+ }
+
+ *d = +INFINITY;
+ return NULL;
+}
+
+
+static double compute_average_clen (struct detector *det, char **clen_from,
+ double *offset)
+{
+
+ int np, num_pan;
+ double sum_clen;
+
+ sum_clen = 0;
+ num_pan = 0;
+
+ for ( np=0; np<det->n_panels; np++ ) {
+
+ struct panel p = det->panels[np];
+
+ if ( p.clen_from != NULL ) {
+ *clen_from = strdup(p.clen_from);
+ *offset = p.coffset;
+ return -1;
+ } else {
+ sum_clen += p.clen+p.coffset;
+ num_pan += 1;
+ }
+
+ }
+
+ return sum_clen/num_pan;
+
+}
+
+
+static struct pattern_list *read_patterns_from_steam_file(const char *infile,
+ struct detector *det)
+{
+
+ Stream *st;
+
+ struct pattern_list *pattern_list;
+
+ int max_patterns, n_chunks;
+
+ n_chunks = 0;
+ max_patterns = 0;
+
+ pattern_list = malloc(sizeof(struct pattern_list));
+ if ( pattern_list == NULL ) {
+ ERROR("Failed to allocate memory for loaded patterns.\n");
+ return NULL;
+ }
+ pattern_list->n_patterns =0;
+
+ pattern_list->patterns = malloc(1024*sizeof(struct pattern*));
+ if ( pattern_list->patterns == NULL ) {
+ ERROR("Failed to allocate memory for loaded patterns.\n");
+ free(pattern_list);
+ return NULL;
+ }
+ pattern_list->n_patterns = 0;
+ max_patterns = 1024;
+
+ st = open_stream_for_read(infile);
+ if ( st == NULL ) {
+ ERROR("Failed to open input stream '%s'\n", infile);
+ free(pattern_list->patterns);
+ free(pattern_list);
+ return NULL;
+ }
+
+ do {
+
+ struct image cur;
+ int i;
+
+ cur.det = det;
+ cur.stuff_from_stream = NULL;
+
+ if ( read_chunk_2(st, &cur, STREAM_READ_REFLECTIONS
+ | STREAM_READ_PEAKS | STREAM_READ_UNITCELL) != 0 ) {
+ break;
+ }
+
+ n_chunks +=1;
+
+ if ( cur.n_crystals !=0 ) {
+
+ struct pattern *patn;
+ double avg_clen = 0.0;
+ double offset = 0.0;
+ char *clen_from;
+
+ if ( pattern_list->n_patterns == max_patterns ) {
+
+ struct pattern **patterns_new;
+
+ patterns_new = realloc(pattern_list->patterns,
+ (max_patterns+1024)*sizeof(struct pattern *));
+ if ( patterns_new == NULL ) {
+ ERROR("Failed to allocate "
+ "memory for loaded patterns.\n");
+ free(pattern_list->patterns);
+ free(pattern_list);
+ return NULL;
+ }
+
+ max_patterns += 1024;
+ pattern_list->patterns = patterns_new;
+ }
+
+ patn = malloc(sizeof(struct pattern));
+ if ( patn == NULL ) {
+ ERROR("Failed to allocate memory for loaded patterns.\n");
+ free(pattern_list->patterns);
+ free(pattern_list);
+ return NULL;
+ }
+ patn->filename = cur.filename;
+ patn->unit_cells = NULL;
+ patn->n_unit_cells = 0;
+ patn->im_list = cur.features;
+ patn->ref_list = reflist_new();
+
+ clen_from = NULL;
+ avg_clen = compute_average_clen(det, &clen_from, &offset);
+ if ( avg_clen == -1 ) {
+ avg_clen = extract_f_from_stuff(clen_from,
+ cur.stuff_from_stream)*1e-3;
+ avg_clen += offset;
+ }
+
+ patn->clen = avg_clen;
+ free(clen_from);
+
+ patn->lambda = cur.lambda;
+
+ for ( i=0; i<cur.n_crystals; i++ ) {
+
+ RefList *crystal_reflist;
+ Reflection *refl;
+ RefListIterator *iter;
+ UnitCell *cell;
+ UnitCell **new_unit_cells;
+
+ cell = crystal_get_cell(cur.crystals[0]);
+
+ new_unit_cells = realloc(patn->unit_cells,
+ (patn->n_unit_cells+1)*sizeof(UnitCell *));
+ if ( new_unit_cells == NULL ) {
+ ERROR("Failed to allocate memory for loaded patterns.\n");
+ free(pattern_list->patterns);
+ free(pattern_list);
+ free(patn);
+ return NULL;
+ }
+
+ new_unit_cells[patn->n_unit_cells] = cell;
+ patn->n_unit_cells++;
+ patn->unit_cells = new_unit_cells;
+
+ crystal_reflist = crystal_get_reflections(cur.crystals[i]);
+
+ for ( refl = first_refl(crystal_reflist, &iter);
+ refl != NULL;
+ refl = next_refl(refl, iter) )
+ {
+ Reflection *n;
+ int h, k, l;
+
+ get_indices(refl, &h, &k, &l);
+ n = add_refl(patn->ref_list, h, k, l);
+ copy_data(n, refl);
+
+ }
+
+ }
+
+ pattern_list->patterns[pattern_list->n_patterns] = patn;
+ pattern_list->n_patterns++;
+
+ if ( pattern_list->n_patterns%1000 == 0 ) {
+ STATUS("Loaded %i indexed patterns from %i total patterns\n",
+ pattern_list->n_patterns, ++n_chunks);
+ }
+
+ }
+
+ } while ( 1 );
+
+ close_stream(st);
+
+ STATUS("Found %d indexed patterns in file %s (from a total of %d)\n",
+ pattern_list->n_patterns, infile, n_chunks );
+
+ return pattern_list;
+}
+
+
+static struct rvec get_q_from_xyz(double rx, double ry, double dist, double l)
+{
+
+ struct rvec q;
+ double r = sqrt(rx*rx + ry*ry);
+ double twotheta = atan2(r, dist);
+ double az = atan2(ry, rx);
+
+ q.u = 1.0/(l*1e9) * sin(twotheta)*cos(az);
+ q.v = 1.0/(l*1e9) * sin(twotheta)*sin(az);
+ q.w = 1.0/(l*1e9) * (cos(twotheta) - 1.0);
+
+ return q;
+}
+
+
+static void compute_avg_cell_parameters(struct pattern_list *pattern_list,
+ double *avcp)
+{
+ int numavc;
+ int j, i;
+ double minc[6];
+ double maxc[6];
+
+ for (j=0; j<6; j++) {
+ minc[j] = 1e10;
+ maxc[j] = -1e10;
+ }
+ numavc = 0;
+ for (i=0; i<pattern_list->n_patterns; i++) {
+
+ struct pattern *ptn;
+ double cpar[6];
+ int j, cri;
+
+ ptn = pattern_list->patterns[i];
+
+ for ( cri=0; cri<ptn->n_unit_cells; cri++ ) {
+
+ cell_get_parameters(ptn->unit_cells[cri], &cpar[0], // a
+ &cpar[1], // b
+ &cpar[2], // c
+ &cpar[3], // alpha
+ &cpar[4], // beta
+ &cpar[5]); // gamma
+
+ cpar[0] *= 1e9;
+ cpar[1] *= 1e9;
+ cpar[2] *= 1e9;
+ cpar[3] = rad2deg(cpar[3]);
+ cpar[4] = rad2deg(cpar[4]);
+ cpar[5] = rad2deg(cpar[5]);
+
+ for ( j=0; j<6; j++ ) {
+ avcp[j] += cpar[j];
+ if (cpar[j]<minc[j]) minc[j] = cpar[j];
+ if (cpar[j]>maxc[j]) maxc[j] = cpar[j];
+ }
+ numavc++;
+
+ }
+
+ }
+
+ if ( numavc>0 ) {
+ for ( j=0; j<6; j++ ) avcp[j] /= numavc;
+ }
+
+ STATUS("Average cell coordinates:\n");
+ STATUS("Average a, b, c (in A): %6.3f, %6.3f, %6.3f\n",
+ avcp[0],avcp[1],avcp[2]);
+ STATUS("Minimum -Maximum a, b, c:\n"
+ "\t%6.3f - %6.3f,\n"
+ "\t%6.3f - %6.3f,\n"
+ "\t%6.3f - %6.3f\n",
+ minc[0], maxc[0], minc[1], maxc[1], minc[2], maxc[2]);
+ STATUS("Average alpha,beta,gamma: %6.3f, %6.3f, %6.3f\n",
+ avcp[3], avcp[4], avcp[5]);
+ STATUS("Minimum - Maximum alpha,beta,gamma:\n"
+ "\t%5.2f - %5.2f,\n"
+ "\t%5.2f - %5.2f,\n"
+ "\t%5.2f - %5.2f\n",
+ minc[3], maxc[3], minc[4], maxc[4], minc[5], maxc[5]);
+
+}
+
+
+static double compute_clen_to_use(struct pattern_list *pattern_list,
+ double istep, double *avcp,
+ double max_peak_distance,
+ int only_best_distance)
+{
+ int cp, i, u;
+ int num_clens;
+ int max_clens;
+ int best_clen;
+ int *clens_population;
+ double *clens;
+ double *lambdas;
+ double irecistep;
+ double min_braggp_dist;
+ double clen_to_use;
+ struct rvec cqu;
+
+ max_clens = 1024;
+
+ clens = calloc(max_clens,sizeof(double));
+ if ( clens == NULL ) {
+ ERROR("Failed to allocate memory for clen calculation.\n");
+ return -1.0;
+ }
+ clens_population = calloc(max_clens,sizeof(int));
+ if ( clens_population == NULL ) {
+ ERROR("Failed to allocate memory for clen calculation.\n");
+ free(clens);
+ return -1.0;
+ }
+ lambdas = calloc(max_clens,sizeof(double));
+ if ( lambdas == NULL ) {
+ ERROR("Failed to allocate memory for clen calculation.\n");
+ free(clens);
+ free(clens_population);
+ return -1.0;
+ }
+
+ num_clens = 0;
+
+ for ( cp=0; cp<pattern_list->n_patterns; cp++ ) {
+
+ int i;
+ int found = 0;
+
+ for ( i=0; i<num_clens; i++ ) {
+ if ( fabs(pattern_list->patterns[cp]->clen-clens[i])<0.0001 ) {
+ clens_population[i]++;
+ lambdas[i] += pattern_list->patterns[cp]->lambda;
+ found = 1;
+ break;
+ }
+ }
+
+ if ( found == 1) continue;
+
+ if ( num_clens == max_clens ) {
+
+ int *clens_population_new;
+ double *clens_new;
+ double *lambdas_new;
+
+ clens_population_new = realloc(clens_population,
+ (max_clens+1024)*sizeof(int));
+ clens_new = realloc(clens_population,
+ (max_clens+1024)*sizeof(double));
+ lambdas_new = realloc(clens_population,
+ (max_clens+1024)*sizeof(double));
+
+ if ( clens_new == NULL || clens_population_new == NULL ||
+ lambdas_new == NULL) {
+ ERROR("Failed to allocate memory for "
+ "camera length list\n");
+ free(clens);
+ free(clens_population);
+ free(lambdas);
+ return -1.0;
+ }
+
+ max_clens += 1024;
+ clens_population_new = clens_population;
+ clens = clens_new;
+ lambdas = lambdas_new;
+ }
+
+ clens[num_clens] = pattern_list->patterns[cp]->clen;
+ clens_population[num_clens] = 1;
+ lambdas[num_clens] = pattern_list->patterns[cp]->lambda;
+ num_clens++;
+
+ }
+
+
+ for ( u=0; u<num_clens; u++ ) {
+ lambdas[u] /= clens_population[u];
+ }
+
+ if ( num_clens == 1 ) {
+ STATUS("All patterns have the same camera length: %f\n", clens[0]);
+ } else {
+ STATUS("%i different camera lengths were found for the input "
+ "patterns:\n", num_clens);
+ }
+
+ best_clen = 0;
+ clen_to_use = clens[0];
+ for ( i=0; i<num_clens; i++) {
+ if ( clens_population[i] >0) {
+ cqu = get_q_from_xyz(1/istep, 0, clens[i], lambdas[i]);
+
+ irecistep = 1/cqu.u;
+
+ min_braggp_dist = fmin(fmin(irecistep/avcp[0],irecistep/avcp[1]),
+ irecistep/avcp[2]);
+ STATUS("Camera length %0.4f was found %i times.\n"
+ "Minimum inter-bragg peak distance (based on average cell "
+ "parameters): %0.1f pixels\n",clens[i], clens_population[i],
+ min_braggp_dist);
+ if ( min_braggp_dist<1.2*max_peak_distance ) {
+ STATUS("WARNING: The distance between Bragg peaks is too "
+ "small: "
+ "%0.1f < 1.2*%0.1f\n", min_braggp_dist,
+ max_peak_distance);
+ }
+ if ( clens_population[i] > clens_population[best_clen] ) {
+ best_clen = i;
+ clen_to_use = clens[best_clen];
+ }
+ }
+ }
+
+ if ( only_best_distance ) {
+ STATUS("Only %i patterns with CLEN=%0.4f will be used.\n",
+ clens_population[best_clen], clen_to_use);
+ }
+
+ free(clens);
+ free(lambdas);
+ free(clens_population);
+
+ return clen_to_use;
+}
+
+
+static double comp_median(double *arr, unsigned int n)
+{
+
+ int low, high, median, middle, ll, hh;
+ double A;
+
+ if (n<1) return 0.0;
+
+ low = 0;
+ high = n-1 ;
+ median = (low + high) / 2;
+ while (1) {
+ if (high <= low) return arr[median] ;
+
+ if (high == low + 1) {
+ if (arr[low] > arr[high]) {
+ A = arr[low];
+ arr[low] = arr[high];
+ arr[high] = A;
+ }
+ return arr[median] ;
+ }
+
+ /* Find median of low, middle and high items; swap into position low */
+ middle = (low + high) / 2;
+ if ( arr[middle]>arr[high] ) {
+ A = arr[middle];
+ arr[middle] = arr[high];
+ arr[high] = A;
+ }
+ if ( arr[low]>arr[high] ) {
+ A = arr[low];
+ arr[low] = arr[high];
+ arr[high] = A;
+ }
+ if ( arr[middle]>arr[low] ) {
+ A = arr[middle];
+ arr[middle] = arr[low];
+ arr[low] = A;
+ }
+
+ /* Swap low item (now in position middle) into position (low+1) */
+ A = arr[middle];
+ arr[middle] = arr[low+1];
+ arr[low+1] = A;
+
+ /* Nibble from each end towards middle, swapping items when stuck */
+ ll = low + 1;
+ hh = high;
+ while (1) {
+ do ll++; while (arr[low] > arr[ll]);
+ do hh--; while (arr[hh] > arr[low]);
+
+ if (hh < ll) break;
+
+ A = arr[ll];
+ arr[ll] = arr[hh];
+ arr[hh] = A;
+ }
+
+ A = arr[low];
+ arr[low] = arr[hh];
+ arr[hh] = A;
+
+ /* Re-set active partition */
+ if ( hh<=median ) low = ll;
+ if ( hh>=median ) high = hh-1;
+ }
+
+ return 0.0;
+}
+
+
+static int find_quad_for_connected(struct rigid_group *rg,
+ struct rg_collection *quadrants)
+{
+ struct panel *p;
+ int qi;
+
+ // The quadrant for a group of connected panels is the quadrant to which
+ // the first panel in the connected set belong
+ p = rg->panels[0];
+
+ for ( qi=0; qi<quadrants->n_rigid_groups; qi++ ) {
+ if ( panel_is_in_rigid_group(quadrants->rigid_groups[qi], p) ) {
+ return qi;
+ }
+ }
+
+ // Hopefully never reached
+ return -1;
+}
+
+
+static void free_all_curr_pix_displ(struct single_pix_displ *all_pix_displ,
+ struct single_pix_displ **curr_pix_displ,
+ int num_pix_in_slab)
+{
+ int i;
+ struct single_pix_displ *curr = NULL;
+ struct single_pix_displ *next = NULL;
+
+ for ( i=0; i<num_pix_in_slab; i++ ) {
+
+ curr = &all_pix_displ[i];
+
+
+ if ( curr->ne != NULL ) {
+ curr = curr->ne;
+ while ( curr != NULL ) {
+ next = curr->ne;
+ free(curr);
+ curr = next;
+ }
+ }
+ }
+
+ free(curr_pix_displ);
+ free(all_pix_displ);
+}
+
+
+static int compute_pixel_statistics(struct pattern_list *pattern_list,
+ struct detector *det,
+ struct rg_collection *connected,
+ struct rg_collection *quadrants,
+ int num_pix_in_slab,
+ int max_peak_distance, int array_width,
+ double default_fill_value,
+ double min_num_peaks_per_pixel,
+ double min_num_peaks_per_panel,
+ int only_best_distance,
+ double clen_to_use,
+ double *slab_to_x, double *slab_to_y,
+ struct connected_data *conn_data,
+ double *displ_x,
+ double *displ_y, double *displ_abs,
+ struct single_pix_displ* all_pix_displ,
+ struct single_pix_displ** curr_pix_displ,
+ int *num_pix_displ)
+{
+ int ipx, cp, ich, di, ip, np;
+
+ for (di=0; di<connected->n_rigid_groups; di++) {
+
+ conn_data[di].num_quad = find_quad_for_connected(
+ connected->rigid_groups[di],
+ quadrants);
+ conn_data[di].cang = 0.0;
+ conn_data[di].cstr = 1.0;
+ conn_data[di].sh_x = default_fill_value;
+ conn_data[di].sh_y = default_fill_value;
+ conn_data[di].num_peaks_per_pixel = 1;
+ conn_data[di].name = connected->rigid_groups[di]->name;
+ conn_data[di].n_peaks_in_conn = 0;
+ }
+
+
+ for ( ipx=0; ipx<num_pix_in_slab; ipx++ ) {
+ all_pix_displ[ipx].dfs = default_fill_value;
+ all_pix_displ[ipx].dss = default_fill_value;
+ all_pix_displ[ipx].ne = NULL;
+ curr_pix_displ[ipx] = &all_pix_displ[ipx];
+ num_pix_displ[ipx] = 0;
+ }
+
+ for ( cp=0; cp<pattern_list->n_patterns; cp++ ) {
+
+ ImageFeatureList *flist = pattern_list->patterns[cp]->im_list;
+
+ if ( only_best_distance ) {
+ if ( fabs(pattern_list->patterns[cp]->clen-clen_to_use)>0.0001 ) {
+ continue;
+ }
+ }
+
+ for ( ich=0;
+ ich<image_feature_count(pattern_list->patterns[cp]->im_list);
+ ich++ ) {
+
+ double min_dist;
+ double fx, fy;
+ double rfs, rss;
+ double crx, cry;
+ Reflection *refl;
+
+ RefList *rlist = pattern_list->patterns[cp]->ref_list;
+
+ struct imagefeature *imfe = image_get_feature(flist, ich);
+ compute_x_y(det, imfe->fs, imfe->ss, &fx, &fy);
+
+ refl = find_closest_reflection(rlist, fx, fy, det, &min_dist);
+
+ if ( refl == NULL ) continue;
+
+ if ( min_dist<max_peak_distance ) {
+
+ int ipx = ((int)rint(imfe->fs) + array_width*
+ (int)rint(imfe->ss));
+
+ if ( num_pix_displ[ipx]>0 ) {
+ curr_pix_displ[ipx]->ne = malloc(sizeof(
+ struct single_pix_displ));
+ if ( curr_pix_displ[ipx]->ne == NULL ) {
+ ERROR("Failed to allocate memory for pixel "
+ "statistics.\n");
+ return 1;
+ }
+
+ curr_pix_displ[ipx] = curr_pix_displ[ipx]->ne;
+ }
+
+ get_detector_pos(refl, &rfs, &rss);
+ compute_x_y(det, rfs, rss, &crx, &cry);
+ get_detector_pos(refl, &rfs, &rss);
+ curr_pix_displ[ipx]->dfs = (fx-crx);
+ curr_pix_displ[ipx]->dss = (fy-cry);
+ curr_pix_displ[ipx]->ne = NULL;
+ num_pix_displ[ipx]++;
+ }
+ }
+ }
+
+ for ( np=min_num_peaks_per_pixel; np>0; np-- ) {
+ for ( di=0; di<connected->n_rigid_groups; di++ ) {
+ if ( conn_data[di].num_peaks_per_pixel>np ) {
+ continue;
+ }
+
+ for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+ struct panel *p;
+ int ifs, iss;
+
+ p = connected->rigid_groups[di]->panels[ip];
+
+ for ( ifs=p->min_fs; ifs<p->max_fs+1; ifs++ ) {
+ for ( iss=p->min_ss; iss<p->max_ss+1; iss++ ) {
+ if ( num_pix_displ[ifs+array_width*iss]>=np ) {
+
+ double *cPxAfs;
+ double *cPxAss;
+ int cnu = 0;
+
+ cPxAfs = calloc(num_pix_displ[ifs+array_width*iss],
+ sizeof(double));
+ if ( cPxAfs == NULL ) {
+ ERROR("Failed to allocate memory for "
+ "pixel statistics.\n");
+ return 1;
+ }
+ cPxAss = calloc(num_pix_displ[ifs+array_width*iss],
+ sizeof(double));
+ if ( cPxAss == NULL ) {
+ ERROR("Failed to allocate memory for "
+ "pixel statistics.\n");
+ free(cPxAfs);
+ return 1;
+ }
+
+ curr_pix_displ[ifs+array_width*iss] =
+ &all_pix_displ[ifs+array_width*iss];
+
+ while (1) {
+ if (curr_pix_displ[ifs+array_width*iss]->dfs
+ == default_fill_value) break;
+ cPxAfs[cnu] =
+ curr_pix_displ[ifs+array_width*iss]->dfs;
+ cPxAss[cnu] =
+ curr_pix_displ[ifs+array_width*iss]->dss;
+ cnu++;
+ if ( curr_pix_displ[ifs+array_width*iss]->ne ==
+ NULL ) break;
+ curr_pix_displ[ifs+array_width*iss] =
+ curr_pix_displ[ifs+array_width*iss]->ne;
+
+ }
+
+ if ( cnu<1 ) continue;
+
+ displ_x[ifs+array_width*iss] =
+ comp_median(cPxAfs, cnu);
+ displ_y[ifs+array_width*iss] =
+ comp_median(cPxAss, cnu);
+ displ_abs[ifs+array_width*iss] = modulus2d(
+ displ_x[ifs+array_width*iss],
+ displ_y[ifs+array_width*iss]);
+ conn_data[di].n_peaks_in_conn++;
+
+ free(cPxAfs);
+ free(cPxAss);
+
+ } else {
+ displ_x[ifs+array_width*iss] = default_fill_value;
+ displ_y[ifs+array_width*iss] = default_fill_value;
+ displ_abs[ifs+array_width*iss] = default_fill_value;
+ }
+ }
+ }
+ }
+ if ( conn_data[di].n_peaks_in_conn>=min_num_peaks_per_panel ) {
+ conn_data[di].num_peaks_per_pixel = np;
+ }
+ }
+ }
+
+ return 0;
+}
+
+
+static double compute_error(struct rg_collection *connected,
+ int array_width,
+ struct connected_data *conn_data,
+ int *num_pix_displ,
+ double *displ_abs)
+{
+ double total_error = 0;
+ int num_total_error = 0;
+ int di, ip;
+
+ for ( di=0;di<connected->n_rigid_groups;di++ ) {
+
+ struct panel *p;
+ double connected_error = 0;
+ int num_connected_error = 0;
+ int ifs, iss;
+
+ for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+ p = connected->rigid_groups[di]->panels[ip];
+
+ for (ifs=p->min_fs; ifs<p->max_fs+1; ifs++) {
+ for (iss=p->min_ss; iss<p->max_ss+1; iss++) {
+ if ( num_pix_displ[ifs+array_width*iss]>=
+ conn_data[di].num_peaks_per_pixel ) {
+
+ double cer;
+
+ cer = displ_abs[ifs+array_width*iss]*
+ displ_abs[ifs+array_width*iss];
+ connected_error += cer;
+ num_connected_error++;
+ total_error += cer;
+ num_total_error++;
+ }
+ }
+ }
+ }
+
+ if ( num_connected_error>0 ) {
+ connected_error /= (double)num_connected_error;
+ connected_error = sqrt(connected_error);
+
+ STATUS("Error for connected group %s (%d peaks): "
+ "<delta^2> = %0.4f\n", conn_data[di].name,
+ conn_data[di].num_peaks_per_pixel,
+ connected_error);
+ }
+ }
+
+ if ( num_total_error>0 ) {
+ total_error /= (double)num_total_error;
+ total_error = sqrt(total_error);
+ } else {
+ total_error = -1;
+ }
+
+ return total_error;
+}
+
+
+static void fill_coordinate_matrices(struct detector *det, int array_width,
+ double *slab_to_x, double *slab_to_y)
+{
+ int pi;
+
+ for ( pi=0; pi<det->n_panels; pi++ ) {
+
+ struct panel *p;
+ int iss, ifs;
+
+ p = &det->panels[pi];
+
+ for (iss=p->min_ss; iss < p->max_ss+1; iss++) {
+ for (ifs=p->min_fs; ifs < p->max_fs+1; ifs++) {
+
+ double xs, ys;
+
+ compute_x_y(det, ifs, iss, &xs, &ys);
+
+ slab_to_x[iss*array_width+ifs] = xs;
+ slab_to_y[iss*array_width+ifs] = ys;
+
+ }
+ }
+ }
+}
+
+
+static int correct_empty_panels(struct rg_collection *quadrants,
+ struct rg_collection *connected,
+ int min_num_peaks_per_panel,
+ struct connected_data *conn_data)
+{
+ double *aver_ang;
+ double *aver_str;
+ int *aver_num_ang;
+
+ int di,i;
+
+ aver_ang = malloc(quadrants->n_rigid_groups*sizeof(double));
+ if ( aver_ang == NULL ) {
+ ERROR("Failed to allocate memory to correct empty panels.|n");
+ return 1;
+ }
+ aver_str = malloc(quadrants->n_rigid_groups*sizeof(double));
+ if ( aver_str == NULL ) {
+ ERROR("Failed to allocate memory to correct empty panels.|n");
+ free(aver_ang);
+ return 1;
+ }
+ aver_num_ang = malloc(quadrants->n_rigid_groups*sizeof(int));
+ if ( aver_num_ang == NULL ) {
+ ERROR("Failed to allocate memory to correct empty panels.|n");
+ free(aver_ang);
+ free(aver_str);
+ return 1;
+ }
+
+ for (i=0; i<quadrants->n_rigid_groups; i++) {
+ aver_ang[i] = 0;
+ aver_str[i] = 0;
+ aver_num_ang[i] = 0;
+ }
+
+ for (di=0; di<connected->n_rigid_groups; di++) {
+ if ( conn_data[di].n_peaks_in_conn>=min_num_peaks_per_panel ) {
+ aver_ang[conn_data[di].num_quad] += conn_data[di].cang;
+ aver_str[conn_data[di].num_quad] += conn_data[di].cstr;
+ aver_num_ang[conn_data[di].num_quad]++;
+ }
+ }
+
+ for ( i=0; i<quadrants->n_rigid_groups; i++ ) {
+ if ( aver_num_ang[i]>0 ) {
+ aver_ang[i] /= (double)aver_num_ang[i];
+ aver_str[i] /= (double)aver_num_ang[i];
+ }
+ }
+
+ for ( di=0; di<connected->n_rigid_groups; di++ ) {
+
+ if ( conn_data[di].n_peaks_in_conn<min_num_peaks_per_panel ) {
+ if (aver_num_ang[conn_data[di].num_quad]>0) {
+ conn_data[di].cang = aver_ang[conn_data[di].num_quad];
+ conn_data[di].cstr = aver_str[conn_data[di].num_quad];
+ STATUS("Connected group %s has not enough peaks (%i). Using"
+ " average angle: %0.4f\n", conn_data[di].name,
+ conn_data[di].n_peaks_in_conn, conn_data[di].cang);
+ } else {
+ STATUS("Connected group %s has not enough peaks (%i). Left "
+ "unchanged\n", conn_data[di].name,
+ conn_data[di].n_peaks_in_conn);
+ }
+ }
+ }
+
+ free(aver_ang);
+ free(aver_str);
+ free(aver_num_ang);
+
+ return 0;
+}
+
+
+static void correct_angle_and_stretch(struct rg_collection *connected,
+ struct detector *det,
+ struct connected_data *conn_data,
+ double use_clen, double stretch_coeff,
+ int individual_coffset)
+{
+
+ int di, ip;
+
+ for ( di=0; di<connected->n_rigid_groups; di++ ) {
+ for ( ip=0; ip<connected->rigid_groups[di]->n_panels; ip++ ) {
+
+ struct panel *p;
+ double newx, newy;
+
+ p = connected->rigid_groups[di]->panels[ip];
+
+ newx =
+ p->fsx*cos(conn_data[di].cang)-p->fsy*sin(conn_data[di].cang);
+ newy =
+ p->fsx*sin(conn_data[di].cang)+p->fsy*cos(conn_data[di].cang);
+ p->fsx = newx;
+ p->fsy = newy;
+ newx =
+ p->ssx*cos(conn_data[di].cang)-p->ssy*sin(conn_data[di].cang);
+ newy =
+ p->ssx*sin(conn_data[di].cang)+p->ssy*cos(conn_data[di].cang);
+ p->ssx = newx;
+ p->ssy = newy;
+ }
+ }
+
+
+ if ( individual_coffset == 0 ) {
+
+ int pi;
+
+ for (pi=0; pi<det->n_panels; pi++) {
+ det->panels[pi].coffset -= use_clen*(1.0-stretch_coeff);
+ }
+ STATUS("Using a single offset distance for the whole detector: %f\n",
+ det->panels[0].coffset);
+
+ for ( di=0; di<connected->n_rigid_groups; di++ ) {
+ conn_data[di].cstr = stretch_coeff;
+ }
+
+ } else {
+
+ STATUS("Using individual distances for rigid panels\n");
+ for ( di=0; di<connected->n_rigid_groups; di++ ) {
+ for ( ip=0; ip<connected->rigid_groups[di]->n_panels; ip++ ) {
+
+ struct panel *p;
+
+ p = connected->rigid_groups[di]->panels[ip];
+ p->coffset -= (1.0-conn_data[di].cstr)*p->clen;
+
+ }
+ }
+ }
+}
+
+
+static void shift_panels(struct rg_collection *connected,
+ struct connected_data *conn_data)
+{
+
+ int di, ip;
+
+ for ( di=0; di<connected->n_rigid_groups; di++ ) {
+ for ( ip=0; ip<connected->rigid_groups[di]->n_panels; ip++ ) {
+
+ struct panel *p;
+
+ p = connected->rigid_groups[di]->panels[ip];
+
+ if ( ip == 0 ) {
+
+ p->cnx *= conn_data[di].cstr;
+ p->cny *= conn_data[di].cstr;
+
+ } else {
+
+ struct panel *p0;
+ double connected_panel_dist;
+
+ p0 = connected->rigid_groups[di]->panels[0];
+
+ connected_panel_dist = modulus2d(
+ p->cnx-p0->cnx/conn_data[di].cstr,
+ p->cny-p0->cny/conn_data[di].cstr
+ );
+
+ p->cnx = p0->cnx + connected_panel_dist*p0->fsx;
+ p->cny = p0->cny + connected_panel_dist*p0->fsy;
+ }
+ }
+ }
+}
+
+
+static void recompute_differences(struct rg_collection *connected,
+ double *slab_to_x, double *slab_to_y,
+ double *recomputed_slab_to_x,
+ double *recomputed_slab_to_y,
+ struct connected_data *conn_data,
+ int stretch_coeff, int array_width,
+ double *displ_x, double *displ_y,
+ int *num_pix_displ)
+{
+
+ int di, ip;
+
+ for ( di=0; di<connected->n_rigid_groups; di++ ) {
+ for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+ double c_stretch;
+ struct panel *p;
+ int ifs, iss;
+
+ c_stretch = conn_data[di].cstr;
+
+ if ( fabs(c_stretch)<FLT_EPSILON ) c_stretch = stretch_coeff;
+
+ p = connected->rigid_groups[di]->panels[ip];
+
+ for ( ifs=p->min_fs; ifs<p->max_fs+1; ifs++ ) {
+ for ( iss=p->min_ss; iss<p->max_ss+1; iss++ ) {
+ recomputed_slab_to_x[ifs+array_width*iss] /= c_stretch;
+ recomputed_slab_to_y[ifs+array_width*iss] /= c_stretch;
+ if ( num_pix_displ[ifs+array_width*iss] >=
+ conn_data[di].num_peaks_per_pixel) {
+
+ displ_x[ifs+array_width*iss] -=
+ (slab_to_x[ifs+array_width*iss]-
+ recomputed_slab_to_x[ifs+array_width*iss]);
+ displ_y[ifs+array_width*iss] -=
+ (slab_to_y[ifs+array_width*iss]-
+ recomputed_slab_to_y[ifs+array_width*iss]);
+ }
+ }
+ }
+ }
+ }
+}
+
+
+static int compute_shifts(struct rg_collection *connected,
+ struct connected_data *conn_data,
+ int *num_pix_displ, int array_width,
+ int min_num_peaks_per_panel,
+ double default_fill_value, double max_peak_distance,
+ double *displ_x, double *displ_y )
+{
+ STATUS("Median for panels\n");
+
+ int di, ip;
+
+ for ( di=0; di<connected->n_rigid_groups; di++ ) {
+
+ int cmaxfs;
+ int cmaxss;
+ int num_all_pixels;
+ double *av_in_panel_fs;
+ double *av_in_panel_ss;
+
+ cmaxfs = connected->rigid_groups[di]->panels[0]->max_fs+1-
+ connected->rigid_groups[di]->panels[0]->min_fs;
+ cmaxss = connected->rigid_groups[di]->panels[0]->max_ss+1-
+ connected->rigid_groups[di]->panels[0]->min_ss;
+
+ num_all_pixels = cmaxfs*cmaxss*connected->rigid_groups[di]->n_panels;
+
+ av_in_panel_fs = malloc(num_all_pixels*sizeof(double));
+ if ( av_in_panel_fs == NULL ) {
+ ERROR("Failed to allocate memory for computing shifts\n");
+ return 1;
+ }
+ av_in_panel_ss = malloc(num_all_pixels*sizeof(double));
+ if ( av_in_panel_ss == NULL ) {
+ ERROR("Failed to allocate memory for computing shifts\n");
+ free(av_in_panel_fs);
+ return 1;
+ }
+
+ conn_data[di].n_peaks_in_conn = 0;
+
+ for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+ struct panel *p;
+ int ifs, iss;
+
+ p = connected->rigid_groups[di]->panels[ip];
+
+ for ( ifs=p->min_fs; ifs<p->max_fs+1; ifs++ ) {
+ for ( iss=p->min_ss; iss<p->max_ss+1; iss++ ) {
+
+ if (num_pix_displ[ifs+array_width*iss]>=
+ conn_data[di].num_peaks_per_pixel) {
+ av_in_panel_fs[conn_data[di].n_peaks_in_conn] =
+ displ_x[ifs+array_width*iss];
+ av_in_panel_ss[conn_data[di].n_peaks_in_conn] =
+ displ_y[ifs+array_width*iss];
+ conn_data[di].n_peaks_in_conn++;
+ }
+ }
+ }
+ }
+
+ if ( conn_data[di].n_peaks_in_conn>=min_num_peaks_per_panel ) {
+
+ conn_data[di].sh_x =
+ comp_median(av_in_panel_fs, conn_data[di].n_peaks_in_conn);
+ conn_data[di].sh_y =
+ comp_median(av_in_panel_ss, conn_data[di].n_peaks_in_conn);
+ STATUS("Panel %s, num pixels: %i, shifts X,Y: %0.8f, %0.8f\n",
+ conn_data[di].name, conn_data[di].n_peaks_in_conn,
+ conn_data[di].sh_x, conn_data[di].sh_y);
+ if ( modulus2d(conn_data[di].sh_x, conn_data[di].sh_y)>
+ 0.8*max_peak_distance ) {
+ STATUS(" WARNING: absolute shift is: %0.1f > 0.8*%0.1f. "
+ "Increase the value of the max_peak_distance parameter!\n",
+ modulus2d(conn_data[di].sh_x, conn_data[di].sh_y),
+ max_peak_distance);
+ }
+ } else {
+ conn_data[di].sh_x = default_fill_value;
+ conn_data[di].sh_y = default_fill_value;
+ }
+ free(av_in_panel_fs);
+ free(av_in_panel_ss);
+ }
+
+ return 0;
+}
+
+
+static int compute_shifts_for_empty_panels(struct rg_collection *quadrants,
+ struct rg_collection *connected,
+ struct connected_data *conn_data,
+ int min_num_peaks_per_panel)
+{
+
+ double *aver_x;
+ double *aver_y;
+ int *num_aver;
+ int di, i;
+
+ // shifts for empty
+ aver_x = malloc(quadrants->n_rigid_groups*sizeof(double));
+ if ( aver_x == NULL ) {
+ ERROR("Failed to allocate memory to compute shifts for "
+ "empty panels.\n");
+ return 1;
+ }
+ aver_y = malloc(quadrants->n_rigid_groups*sizeof(double));
+ if ( aver_y == NULL ) {
+ ERROR("Failed to allocate memory to compute shifts for "
+ "empty panels.\n");
+ free(aver_x);
+ return 1;
+ }
+ num_aver = malloc(quadrants->n_rigid_groups*sizeof(int));
+ if ( num_aver == NULL ) {
+ ERROR("Failed to allocate memory to compute shifts for "
+ "empty panels.\n");
+ free(aver_x);
+ free(aver_y);
+ return 1;
+ }
+
+ for ( i=0; i<quadrants->n_rigid_groups; i++ ) {
+ aver_x[i] = 0;
+ aver_y[i] = 0;
+ num_aver[i] = 0;
+ }
+
+ for ( di=0; di<connected->n_rigid_groups; di++ ) {
+ if ( conn_data[di].n_peaks_in_conn>=min_num_peaks_per_panel ) {
+ aver_x[conn_data[di].num_quad] += conn_data[di].sh_x;
+ aver_y[conn_data[di].num_quad] += conn_data[di].sh_y;
+ num_aver[conn_data[di].num_quad]++;
+ }
+ }
+
+ for ( i=0; i<quadrants->n_rigid_groups; i++ ) {
+ if (num_aver[i]>0) {
+ aver_x[i] /= (double)num_aver[i];
+ aver_y[i] /= (double)num_aver[i];
+ }
+ }
+
+ for (di=0; di<connected->n_rigid_groups; di++) {
+ if ( conn_data[di].n_peaks_in_conn<min_num_peaks_per_panel ) {
+ if ( num_aver[conn_data[di].num_quad]>0 ) {
+ conn_data[di].sh_x = aver_x[conn_data[di].num_quad];
+ conn_data[di].sh_y = aver_y[conn_data[di].num_quad];
+ STATUS("Panel %s has not enough (%i) peaks. Using average "
+ "shifts X,Y: %0.2f,%0.2f\n", conn_data[di].name,
+ conn_data[di].n_peaks_in_conn,
+ conn_data[di].sh_x, conn_data[di].sh_y);
+ } else {
+ STATUS("Panel %s has not enough (%i) peaks. Left unchanged\n",
+ conn_data[di].name, conn_data[di].n_peaks_in_conn);
+ }
+ }
+ }
+
+ free(aver_x);
+ free(aver_y);
+ free(num_aver);
+
+ return 0;
+}
+
+
+static void correct_shifts(struct rg_collection *connected,
+ struct connected_data *conn_data,
+ double default_fill_value, double clen_to_use)
+{
+
+ int di;
+ int ip;
+
+ for ( di=0;di<connected->n_rigid_groups;di++ ) {
+ for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+ struct panel *p;
+
+ p = connected->rigid_groups[di]->panels[ip];
+
+ if ( conn_data[di].sh_x>default_fill_value+1.0 &&
+ conn_data[di].sh_y > default_fill_value+1.0 ) {
+
+ p->cnx -= conn_data[di].sh_x;
+ p->cny -= conn_data[di].sh_y;
+
+ } else {
+ STATUS("For some reason pannel %s is empty!\n",
+ p->name);
+ }
+ }
+ }
+}
+
+
+static int compute_angles_and_stretch
+ (struct rg_collection *connected,
+ struct connected_data *conn_data,
+ int *num_pix_displ,
+ double *slab_to_x,
+ double *slab_to_y,
+ double *displ_x,
+ double *displ_y,
+ int array_width,
+ int min_num_peaks_per_panel,
+ double dist_coeff_ang_str,
+ int num_peaks_per_pixel,
+ double man_stretching_coeff,
+ double *stretch_coeff)
+{
+ int di;
+ int num_coeff;
+ double stretch_cf;
+
+ struct connected_stretch_and_angles *csaa;
+
+ csaa = malloc(sizeof(struct connected_stretch_and_angles));
+ if ( csaa == NULL ) {
+ ERROR("Failed to allocate memory to compute angles and stretch.\n");
+ return 1;
+ }
+ csaa->stretch_coeff = malloc(connected->n_rigid_groups*sizeof(double));
+ if ( csaa->stretch_coeff == NULL ) {
+ ERROR("Failed to allocate memory to compute angles and stretch.\n");
+ free(csaa);
+ return 1;
+ }
+ csaa->num_angles = malloc(connected->n_rigid_groups*sizeof(unsigned int));
+ if ( csaa->num_angles == NULL ) {
+ ERROR("Failed to allocate memory to compute angles and stretch.\n");
+ free(csaa->stretch_coeff);
+ free(csaa);
+ return 1;
+ }
+
+ csaa->num_coeff=0;
+
+ for ( di=0; di<connected->n_rigid_groups; di++ ) {
+ if ( conn_data[di].n_peaks_in_conn<min_num_peaks_per_panel ) continue;
+
+ unsigned int max_num_ang = 0;
+
+ double* angles;
+ double* stretches;
+
+ int cmaxfs;
+ int cmaxss;
+
+ struct panel *p;
+ double minrad;
+ int num_ang = 0;
+ int ip0, ip1;
+
+ p = connected->rigid_groups[di]->panels[0];
+
+ cmaxfs = p->max_fs+1-p->min_fs;
+ cmaxss = p->max_ss+1-p->min_ss;
+
+ // TODO: MINRAD HERE IS NOT UNIVERSAL
+ minrad = dist_coeff_ang_str*sqrt(cmaxfs*cmaxss*
+ connected->rigid_groups[di]->n_panels);
+
+ for ( ip0=0; ip0<connected->rigid_groups[di]->n_panels; ip0++ ) {
+
+ struct panel *p0 = connected->rigid_groups[di]->panels[ip0];
+
+ for ( ip1=0; ip1<connected->rigid_groups[di]->n_panels; ip1++ ) {
+
+ struct panel *p1 = connected->rigid_groups [di]->panels[ip1];
+
+ int ifs, iss;
+ int min_fs_tmp = p0->min_fs;
+ int max_fs_tmp = p0->max_fs;
+ int min_ss_tmp = p0->min_ss;
+ int max_ss_tmp = p0->max_ss;
+
+ for (ifs=min_fs_tmp; ifs<max_fs_tmp+1; ifs++) {
+
+ if ( ifs == max_fs_tmp ) {
+ min_fs_tmp = p1->min_fs;
+ max_fs_tmp = p1->max_fs;
+ }
+
+ for (iss=min_ss_tmp; iss<max_ss_tmp+1; iss++) {
+
+ if ( iss == max_ss_tmp ) {
+ min_ss_tmp = p1->min_ss;
+ max_ss_tmp = p1->max_ss;
+ }
+
+ double coX, coY, cdX, cdY;
+
+ if ( num_pix_displ[ifs+array_width*iss]>=
+ conn_data[di].num_peaks_per_pixel ) {
+
+ int ifs1, iss1;
+ int max_fs1_tmp = p0->max_fs;
+ int max_ss1_tmp = p0->max_ss;
+
+ coX = slab_to_x[ifs+array_width*iss];
+ coY = slab_to_y[ifs+array_width*iss];
+ cdX = coX - displ_x[ifs+array_width*iss];
+ cdY = coY - displ_y[ifs+array_width*iss];
+
+ for (ifs1=ifs+1; ifs1<max_fs1_tmp+1; ifs1++) {
+
+ if ( ifs1 == max_fs1_tmp ) {
+ max_fs1_tmp = p1->max_fs;
+ }
+
+ for (iss1=iss+1; iss1<max_ss1_tmp+1; iss1++) {
+
+ if ( iss1 == max_ss1_tmp ) {
+ max_ss1_tmp = p1->max_ss;
+ }
+
+ if ( num_pix_displ[ifs1+array_width*iss1]>=
+ conn_data[di].num_peaks_per_pixel ) {
+
+ double dist;
+ double coX1, coY1, cdX1, cdY1;
+ double len1, len2;
+
+ dist = modulus2d(ifs-ifs1,iss-iss1);
+ if ( dist < minrad ) continue;
+ coX1 = slab_to_x[ifs1+array_width*iss1];
+ coY1 = slab_to_y[ifs1+array_width*iss1];
+ cdX1 =
+ coX1 - displ_x[ifs1+array_width*iss1];
+ cdY1 =
+ coY1 - displ_y[ifs1+array_width*iss1];
+
+ len1 = modulus2d(coX1-coX, coY1-coY);
+ len2 = modulus2d(cdX1-cdX, cdY1-cdY);
+ if ( len1<FLT_EPSILON ||
+ len2<FLT_EPSILON ) {
+ continue;
+ }
+
+ num_ang++;
+ }
+ }
+ }
+ }
+ }
+ }
+ }
+ }
+
+ max_num_ang = conn_data[di].n_peaks_in_conn*
+ conn_data[di].n_peaks_in_conn;
+ max_num_ang = num_ang+1;
+
+ angles = malloc(max_num_ang*sizeof(double));
+ if ( angles == NULL ) {
+ ERROR("Error in allocating memory for angle optimization\n");
+ free(csaa->stretch_coeff);
+ free(csaa->num_angles);
+ free(csaa);
+ return 1;
+ }
+ stretches = malloc(max_num_ang*sizeof(double));
+ if ( stretches == NULL ) {
+ ERROR("Error in allocating memory for stretch optimization\n");
+ free(angles);
+ free(csaa->stretch_coeff);
+ free(csaa->num_angles);
+ free(csaa);
+ return 1;
+ }
+
+ num_ang = 0;
+
+ for ( ip0=0; ip0<connected->rigid_groups[di]->n_panels; ip0++ ) {
+
+ struct panel *p0 = connected->rigid_groups[di]->panels[ip0];
+
+ for ( ip1=0; ip1<connected->rigid_groups[di]->n_panels; ip1++ ) {
+
+ struct panel *p1 = connected->rigid_groups [di]->panels[ip1];
+
+ int ifs, iss;
+ int min_fs_tmp = p0->min_fs;
+ int max_fs_tmp = p0->max_fs;
+ int min_ss_tmp = p0->min_ss;
+ int max_ss_tmp = p0->max_ss;
+
+ for (ifs=min_fs_tmp; ifs<max_fs_tmp+1; ifs++) {
+
+ if ( ifs == max_fs_tmp ) {
+ min_fs_tmp = p1->min_fs;
+ max_fs_tmp = p1->max_fs;
+ }
+
+ for (iss=min_ss_tmp; iss<max_ss_tmp+1; iss++) {
+
+ if ( iss == max_ss_tmp ) {
+ min_ss_tmp = p1->min_ss;
+ max_ss_tmp = p1->max_ss;
+ }
+
+ double coX, coY, cdX, cdY;
+
+ if ( num_pix_displ[ifs+array_width*iss]>=
+ conn_data[di].num_peaks_per_pixel ) {
+
+ int ifs1, iss1;
+ int max_fs1_tmp = p0->max_fs;
+ int max_ss1_tmp = p0->max_ss;
+
+ if ( num_ang>=max_num_ang ) break;
+
+ coX = slab_to_x[ifs+array_width*iss];
+ coY = slab_to_y[ifs+array_width*iss];
+ cdX = coX - displ_x[ifs+array_width*iss];
+ cdY = coY - displ_y[ifs+array_width*iss];
+
+ for (ifs1=ifs+1; ifs1<max_fs1_tmp+1; ifs1++) {
+
+ if ( ifs1 == max_fs1_tmp ) {
+ max_fs1_tmp = p1->max_fs;
+ }
+
+ for (iss1=iss+1; iss1<max_ss1_tmp+1; iss1++) {
+
+ if ( iss1 == max_ss1_tmp ) {
+ max_ss1_tmp = p1->max_ss;
+ }
+
+ if ( num_pix_displ[ifs1+array_width*iss1]>=
+ conn_data[di].num_peaks_per_pixel ) {
+
+ double dist;
+ double coX1, coY1, cdX1, cdY1;
+ double len1, len2;
+ double scalM;
+ double multlen;
+
+ if ( num_ang>=max_num_ang ) break;
+ dist = modulus2d(ifs-ifs1,iss-iss1);
+ if (dist<minrad) continue;
+ coX1 = slab_to_x[ifs1+array_width*iss1];
+ coY1 = slab_to_y[ifs1+array_width*iss1];
+ cdX1 =
+ coX1 - displ_x[ifs1+array_width*iss1];
+ cdY1 =
+ coY1 - displ_y[ifs1+array_width*iss1];
+
+ len1 = modulus2d(coX1-coX, coY1-coY);
+ len2 = modulus2d(cdX1-cdX, cdY1-cdY);
+ scalM = (coX1-coX)*(cdX1-cdX)+
+ (coY1-coY)*(cdY1-cdY)-
+ FLT_EPSILON;
+ if ( len1<FLT_EPSILON ||
+ len2<FLT_EPSILON ) {
+ continue;
+ }
+
+ multlen = len1*len2;
+ if ( fabs(scalM)>=multlen ) {
+ angles[num_ang] = 0.0;
+ } else {
+
+ angles[num_ang] = 1.0;
+
+ angles[num_ang] =
+ acos(scalM/multlen);
+
+ if ((coY1-coY)*(cdX1-cdX)-
+ (coX1-coX)*(cdY1-cdY) < 0) {
+ angles[num_ang] *= -1.;
+ }
+
+ }
+
+ stretches[num_ang] = len1/len2;
+
+ num_ang++;
+ }
+ }
+ }
+ }
+ }
+ }
+ }
+ }
+
+ if ( num_ang<1 ) continue;
+ conn_data[di].cang = -comp_median(angles,num_ang);
+ conn_data[di].cstr = comp_median(stretches,num_ang);
+
+ STATUS("Panel %s, num: %i, angle: %0.4f, stretch: %0.4f\n",
+ conn_data[di].name, num_ang, conn_data[di].cang,
+ conn_data[di].cstr);
+
+ csaa->stretch_coeff[csaa->num_coeff] = conn_data[di].cstr;
+ csaa->num_angles[csaa->num_coeff] = num_ang;
+ csaa->num_coeff++;
+
+ free(angles);
+ free(stretches);
+ }
+
+
+ num_coeff = csaa->num_coeff;
+
+ stretch_cf = 1;
+ if (num_coeff>0) {
+
+ int ipp;
+
+ for ( ipp=num_peaks_per_pixel; ipp>=0; ipp-- ) {
+
+ double total_num;
+ int di;
+
+ total_num = 0;
+ for ( di=0; di<num_coeff; di++ ) {
+ if ( conn_data[di].num_peaks_per_pixel>=ipp ) {
+ total_num += csaa->num_angles[di];
+ }
+ }
+ if ( total_num>1 ) {
+ total_num = 1./total_num;
+ } else {
+ continue;
+ }
+ stretch_cf = 0;
+ for ( di=0; di<num_coeff; di++ ) {
+ if ( conn_data[di].num_peaks_per_pixel>=ipp ) {
+ stretch_cf += total_num*csaa->stretch_coeff[di]*
+ (double)csaa->num_angles[di];
+ }
+ }
+ break;
+ }
+ }
+
+ if ( stretch_cf<FLT_EPSILON ) {
+ stretch_cf = 1.0;
+ }
+
+ STATUS("The stretch coefficient for the patterns is %0.4f\n",
+ stretch_cf);
+ if ( man_stretching_coeff>FLT_EPSILON ) {
+ stretch_cf = man_stretching_coeff;
+ STATUS("Using manually set stretch coefficient: %0.4f\n", stretch_cf);
+
+ for ( di=0; di<connected->n_rigid_groups; di++ ) {
+ conn_data[di].cstr = man_stretching_coeff;
+ }
+
+ }
+
+ free(csaa->stretch_coeff);
+ free(csaa->num_angles);
+ free(csaa);
+
+ *stretch_coeff = stretch_cf;
+
+ return 0;
+}
+
+
+static int save_data_to_hdf5(char * filename, struct detector* det,
+ int max_fs, int max_ss, double default_fill_value,
+ double *data)
+{
+ struct image *im;
+ int i;
+ int ret;
+
+ im = malloc(sizeof(struct image));
+ if ( im == NULL ) {
+ ERROR("Failed to allocate memory to save data.\n");
+ return 1;
+ }
+ im->data = malloc((max_fs+1)*(max_ss+1)*sizeof(float));
+ if ( im->data == NULL ) {
+ ERROR("Failed to allocate memory to save data.\n");
+ free(im);
+ return 1;
+ }
+ im->det = det;
+ im->width = max_fs+1;
+ im->height = max_ss+1;
+ im->beam = NULL;
+ im->spectrum = NULL;
+
+ for ( i=0; i<(max_fs+1)*(max_ss+1); i++) {
+ if ( data[i] == default_fill_value ) {
+ im->data[i] = 0.0;
+ } else {
+ im->data[i] = (float)data[i];
+ }
+ }
+
+ ret = hdf5_write_image(filename, im, NULL);
+
+ if ( ret != 0 ) {
+ free(im->data);
+ free(im);
+ return 1;
+ }
+
+ free(im->data);
+ free(im);
+
+ return 0;
+}
+
+
+int optimize_geometry(char *infile, char *outfile, char *geometry_filename,
+ struct detector *det, struct rg_collection* quadrants,
+ struct rg_collection* connected,
+ int min_num_peaks_per_pixel, int min_num_peaks_per_panel,
+ int only_best_distance, int nostretch,
+ int individual_coffset, double max_peak_dist,
+ const char *command_line)
+{
+ int num_pix_in_slab;
+ int max_fs = 0;
+ int max_ss = 0;
+ int array_width = 0;
+ int pi, di, ip, pti;
+ int ret1, ret2, ret3;
+ int ret4, ret5, ret6;
+ int ret;
+ int write_ret;
+
+ double res_sum;
+ double istep;
+ double clen_to_use;
+ double man_stretching_coeff = 0.0;
+ double avc[6] = {0.,0.,0.,0.,0.,0.};
+ double default_fill_value = -10000.0;
+ double dist_coeff_ang_str = 0.2; // for angles and stretch calculation use
+ // only pixels which are distco*size_panel
+ // away
+
+ int *num_pix_displ;
+ double *displ_x;
+ double *displ_y;
+ double *displ_abs;
+ double totalError;
+
+ double* slab_to_x;
+ double* slab_to_y;
+ double* recomputed_slab_to_x;
+ double* recomputed_slab_to_y;
+ double stretch_coeff = 1;
+ struct single_pix_displ *all_pix_displ;
+ struct single_pix_displ **curr_pix_displ;
+ struct connected_data *conn_data = NULL;
+ struct pattern_list *pattern_list;
+
+ if ( nostretch ) man_stretching_coeff = 1.0;
+
+ STATUS("Maximum distance between peaks: %0.1f\n", max_peak_dist);
+
+ STATUS("Minimum number of measurements for pixel to be included in the "
+ "refinement: %i\n",
+ min_num_peaks_per_pixel);
+ STATUS("Minimum number of measurements for panel for accurate estimation of"
+ " position/orientation: %i\n", min_num_peaks_per_panel);
+
+ pattern_list = read_patterns_from_steam_file(infile, det);
+ if ( pattern_list->n_patterns < 1 ) {
+ ERROR("Error reading stream file\n");
+ return 1;
+ }
+
+ compute_avg_cell_parameters(pattern_list, avc);
+
+ res_sum = 0;
+ for ( pi=0; pi<det->n_panels; pi++ ) {
+
+ if ( det->panels[pi].max_fs > max_fs ) {
+ max_fs = det->panels[pi].max_fs;
+ }
+ if ( det->panels[pi].max_ss > max_ss ) {
+ max_ss = det->panels[pi].max_ss;
+ }
+ res_sum += det->panels[pi].res;
+ }
+
+ istep = res_sum/det->n_panels;
+
+ array_width = max_fs+1;
+
+ clen_to_use = compute_clen_to_use(pattern_list, istep, avc,
+ max_peak_dist,
+ only_best_distance);
+
+ if ( clen_to_use == -1.0 ) return 1;
+
+ num_pix_in_slab = (max_fs+1)*(max_ss+1);
+ displ_x = calloc(num_pix_in_slab,sizeof(double));
+ if ( displ_x == NULL ) {
+ ERROR("Error allocating memory for pixel properties.\n");
+ return 1;
+ }
+ displ_y = calloc(num_pix_in_slab,sizeof(double));
+ if ( displ_y == NULL ) {
+ ERROR("Error allocating memory for pixel properties.\n");
+ free(displ_x);
+ return 1;
+ }
+ displ_abs = calloc(num_pix_in_slab,sizeof(double));
+ if ( displ_abs == NULL ) {
+ ERROR("Error allocating memory for pixel properties.\n");
+ free(displ_x);
+ free(displ_y);
+ return 1;
+ }
+
+ slab_to_x = malloc(num_pix_in_slab*sizeof(double));
+ slab_to_y = malloc(num_pix_in_slab*sizeof(double));
+ if ( slab_to_x == NULL ) {
+ ERROR("Failed to allocate memory for pixel maps.\n");
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ return 1;
+ }
+ slab_to_y = malloc(num_pix_in_slab*sizeof(double));
+ if ( slab_to_y == NULL ) {
+ ERROR("Failed to allocate memory for pixel maps.\n");
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(slab_to_x);
+ return 1;
+ }
+
+ fill_coordinate_matrices(det, array_width, slab_to_x, slab_to_y);
+
+ all_pix_displ = calloc(num_pix_in_slab, sizeof(struct single_pix_displ));
+ if ( all_pix_displ == NULL ) {
+ ERROR("Error allocating memory for connected structure data.\n");
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(slab_to_x);
+ free(slab_to_y);
+ return 1;
+ }
+ curr_pix_displ = calloc(num_pix_in_slab, sizeof(struct single_pix_displ*));
+ if ( curr_pix_displ == NULL ) {
+ ERROR("Error allocating memory for connected structure data.\n");
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(slab_to_x);
+ free(slab_to_y);
+ free(all_pix_displ);
+ return 1;
+ }
+ num_pix_displ = calloc(num_pix_in_slab, sizeof(int));
+ if ( num_pix_displ == NULL ) {
+ ERROR("Error allocating memory for connected structure data.\n");
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(slab_to_x);
+ free(slab_to_y);
+ free(all_pix_displ);
+ free(curr_pix_displ);
+ return 1;
+ }
+
+ conn_data = malloc(connected->n_rigid_groups*sizeof(struct connected_data));
+ if ( conn_data == NULL ) {
+ ERROR("Error allocating memory for connected structure data.\n");
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(slab_to_x);
+ free(slab_to_y);
+ free(all_pix_displ);
+ free(curr_pix_displ);
+ free(num_pix_displ);
+ return 1;
+ }
+
+ STATUS("Computing pixel statistics\n");
+ ret = compute_pixel_statistics(pattern_list, det, connected, quadrants,
+ num_pix_in_slab, max_peak_dist,
+ array_width, default_fill_value,
+ min_num_peaks_per_pixel,
+ min_num_peaks_per_panel, only_best_distance,
+ clen_to_use, slab_to_x, slab_to_y, conn_data,
+ displ_x, displ_y, displ_abs, all_pix_displ,
+ curr_pix_displ,
+ num_pix_displ);
+ if ( ret != 0 ) {
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(slab_to_x);
+ free(slab_to_y);
+ free_all_curr_pix_displ(all_pix_displ, curr_pix_displ, num_pix_in_slab);
+ free(num_pix_displ);
+ free(conn_data);
+ return 1;
+ }
+
+ free_all_curr_pix_displ(all_pix_displ, curr_pix_displ, num_pix_in_slab);
+ for ( pti=0; pti<pattern_list->n_patterns; pti++ ) {
+ int nuc;
+
+ image_feature_list_free(pattern_list->patterns[pti]->im_list);
+ reflist_free(pattern_list->patterns[pti]->ref_list);
+ for ( nuc=0; nuc<pattern_list->patterns[pti]->n_unit_cells; nuc++) {
+ cell_free(pattern_list->patterns[pti]->unit_cells[nuc]);
+ }
+ free(pattern_list->patterns[pti]->filename);
+ free(pattern_list->patterns[pti]);
+ }
+ free(pattern_list);
+
+ STATUS("Saving displacements before corrections\n");
+ ret1 = save_data_to_hdf5("disp_x_before.h5", det, max_fs, max_ss,
+ default_fill_value, displ_x);
+ ret2 = save_data_to_hdf5("disp_y_before.h5", det, max_fs, max_ss,
+ default_fill_value, displ_y);
+ ret3 = save_data_to_hdf5("disp_abs_before.h5", det, max_fs, max_ss,
+ default_fill_value, displ_abs);
+ if ( ret1!=0 || ret2!=0 || ret3!=0 ) {
+ ERROR("Error while writing data to file.\n");
+ free(conn_data);
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(num_pix_displ);
+ free(slab_to_x);
+ free(slab_to_y);
+ return 1;
+ }
+
+ STATUS("Computing initial error.\n");
+ totalError = compute_error(connected, array_width, conn_data,
+ num_pix_displ, displ_abs);
+
+ STATUS("The total initial error <delta^2> = %0.4f\n", totalError);
+ STATUS("Now calculating corrections\n");
+
+ for ( di=0;di<connected->n_rigid_groups;di++ ) {
+
+ conn_data[di].n_peaks_in_conn = 0;
+
+ for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+ struct panel *p;
+ int ifs, iss;
+
+ p = connected->rigid_groups[di]->panels[ip];
+ for (ifs=p->min_fs; ifs<p->max_fs+1; ifs++) {
+ for (iss=p->min_ss; iss<p->max_ss+1; iss++) {
+ if ( num_pix_displ[ifs+array_width*iss]>=
+ conn_data[di].num_peaks_per_pixel ) {
+ conn_data[di].n_peaks_in_conn++;
+ }
+ }
+ }
+ }
+ }
+
+ STATUS("Calculating angles and elongations (usually long)\n");
+
+ ret = compute_angles_and_stretch(connected, conn_data,
+ num_pix_displ,
+ slab_to_x, slab_to_y,
+ displ_x, displ_y,
+ array_width,
+ min_num_peaks_per_panel,
+ dist_coeff_ang_str,
+ min_num_peaks_per_pixel,
+ man_stretching_coeff, &stretch_coeff);
+
+ if ( ret != 0 ) {
+ free(conn_data);
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(num_pix_displ);
+ free(slab_to_x);
+ free(slab_to_y);
+ return 1;
+ }
+ ret = correct_empty_panels(quadrants, connected, min_num_peaks_per_panel,
+ conn_data);
+
+ if ( ret != 0 ) {
+ free(conn_data);
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(num_pix_displ);
+ free(slab_to_x);
+ free(slab_to_y);
+ return 1;
+ }
+
+ correct_angle_and_stretch(connected, det, conn_data, clen_to_use,
+ stretch_coeff, individual_coffset);
+
+ shift_panels(connected, conn_data);
+
+ recomputed_slab_to_x = malloc(num_pix_in_slab*sizeof(double));
+ if ( recomputed_slab_to_x == NULL ) {
+ ERROR("Failed to allocate memory for pixel maps.\n");
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(slab_to_x);
+ free(slab_to_y);
+ free(num_pix_displ);
+ free(conn_data);
+ return 1;
+ }
+ recomputed_slab_to_y = malloc(num_pix_in_slab*sizeof(double));
+ if ( recomputed_slab_to_y == NULL ) {
+ ERROR("Failed to allocate memory for pixel maps.\n");
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(slab_to_x);
+ free(slab_to_y);
+ free(num_pix_displ);
+ free(conn_data);
+ free(recomputed_slab_to_x);
+ return 1;
+ }
+
+ fill_coordinate_matrices(det, array_width, recomputed_slab_to_x,
+ recomputed_slab_to_y);
+
+ recompute_differences(connected, slab_to_x, slab_to_y, recomputed_slab_to_x,
+ recomputed_slab_to_y, conn_data,
+ stretch_coeff, array_width, displ_x, displ_y,
+ num_pix_displ);
+
+ ret = compute_shifts(connected, conn_data, num_pix_displ, array_width,
+ min_num_peaks_per_panel, default_fill_value,
+ max_peak_dist, displ_x, displ_y );
+
+ if ( ret != 0 ) return 1;
+
+ compute_shifts_for_empty_panels(quadrants, connected, conn_data,
+ min_num_peaks_per_panel);
+
+ for ( di=0;di<connected->n_rigid_groups;di++ ) {
+ for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+ struct panel *p;
+ int ifs, iss;
+
+ if (conn_data[di].sh_x < default_fill_value+1) continue;
+
+ p = connected->rigid_groups[di]->panels[ip];
+
+ for (ifs=p->min_fs; ifs<p->max_fs+1; ifs++) {
+ for (iss=p->min_ss; iss<p->max_ss+1; iss++) {
+ if ( num_pix_displ[ifs+array_width*iss]>=
+ conn_data[di].num_peaks_per_pixel ) {
+ displ_x[ifs+array_width*iss] -= conn_data[di].sh_x;
+ displ_y[ifs+array_width*iss] -= conn_data[di].sh_y;
+ displ_abs[ifs+array_width*iss] = modulus2d(
+ displ_x[ifs+array_width*iss],
+ displ_y[ifs+array_width*iss]
+ );
+ } else {
+ displ_abs[ifs+array_width*iss] = default_fill_value;
+ }
+ }
+ }
+ }
+ }
+
+ correct_shifts(connected, conn_data, default_fill_value, clen_to_use);
+
+ STATUS("Saving displacements after corrections\n");
+ ret4 = save_data_to_hdf5("disp_x_after.h5", det, max_fs, max_ss,
+ default_fill_value, displ_x);
+ ret5 = save_data_to_hdf5("disp_y_after.h5", det, max_fs, max_ss,
+ default_fill_value, displ_y);
+ ret6 = save_data_to_hdf5("disp_abs_after.h5", det, max_fs, max_ss,
+ default_fill_value, displ_abs);
+ if ( ret4!=0 || ret5!=0 || ret6!=0 ) {
+ ERROR("Error while writing data to file.\n");
+ free(conn_data);
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(num_pix_displ);
+ free(slab_to_x);
+ free(slab_to_y);
+ free(recomputed_slab_to_x);
+ free(recomputed_slab_to_y);
+ return 1;
+ }
+
+ STATUS("Computing final error.\n");
+ totalError = compute_error(connected, array_width, conn_data, num_pix_displ,
+ displ_abs);
+
+ STATUS("The total final error <delta^2> = %0.4f\n",totalError);
+
+ write_ret = write_detector_geometry_2(geometry_filename, outfile, det,
+ command_line, 1);
+ if ( write_ret != 0 ) {
+ ERROR("Error in writing output geometry file.\n");
+ return 1;
+ }
+ STATUS("All done!\n");
+
+ free(conn_data);
+ free(displ_x);
+ free(displ_y);
+ free(displ_abs);
+ free(num_pix_displ);
+ free(slab_to_x);
+ free(slab_to_y);
+ free(recomputed_slab_to_x);
+ free(recomputed_slab_to_y);
+ return 0;
+}
+
+int main(int argc, char *argv[])
+{
+ int c, i;
+ int ret_val;
+ char buffer[256];
+ char command_line[1024];
+ char *outfile = NULL;
+ char *infile = NULL;
+ char *geometry_filename = NULL;
+ char *quadrant_coll_name = NULL;
+ char *connected_coll_name = NULL;
+ int min_num_peaks_per_pixel = 3;
+ int min_num_peaks_per_panel = 100;
+ int only_best_distance = 0;
+ int nostretch = 0;
+ int individual_coffset = 0;
+ double max_peak_dist = 4.0;
+
+ struct detector *det = NULL;
+ struct rg_collection *quadrants;
+ struct rg_collection *connected;
+ struct beam_params beam;
+
+ const struct option longopts[] = {
+
+ /* Options with long and short versions */
+ {"help", 0, NULL, 'h'},
+ {"version", 0, NULL, 10 },
+ {"input", 1, NULL, 'i'},
+ {"output", 1, NULL, 'o'},
+ {"geometry", 1, NULL, 'g'},
+ {"quadrants", 1, NULL, 'q'},
+ {"connected", 1, NULL, 'c'},
+ {"min-num-peaks-per-pixel",1, NULL, 'x'},
+ {"min-num-peaks-per-panel",1, NULL, 'p'},
+ {"most-few-clen", 0, NULL, 'l'},
+ {"max-peak-dist", 1, NULL, 'm'},
+ {"individual-dist-offset", 0, NULL, 's'},
+
+
+ /* Long-only options with no arguments */
+ {"no-stretch", 0, &nostretch, 1},
+
+
+ {0, 0, NULL, 0}
+ };
+
+ /* Short options */
+ while ((c = getopt_long(argc, argv, "ho:i:g:q:c:o:x:p:lsm:",
+ longopts, NULL)) != -1) {
+
+ switch (c) {
+
+ case 'h' :
+ show_help(argv[0]);
+ return 0;
+
+ case 10 :
+ printf("CrystFEL: " CRYSTFEL_VERSIONSTRING "\n");
+ printf(CRYSTFEL_BOILERPLATE"\n");
+ return 0;
+
+ case 'o' :
+ outfile = strdup(optarg);
+ break;
+
+ case 'i' :
+ infile = strdup(optarg);
+ break;
+
+ case 'g' :
+ geometry_filename = strdup(optarg);
+ det = get_detector_geometry(geometry_filename, &beam);
+ if ( det == NULL ) {
+ ERROR("Failed to read detector geometry from "
+ "'%s'\n", optarg);
+ return 1;
+ }
+ break;
+
+ case 'q' :
+ quadrant_coll_name = strdup(optarg);
+ break;
+
+ case 'c' :
+ connected_coll_name = strdup(optarg);
+ break;
+
+ case 'x' :
+ min_num_peaks_per_pixel = atoi(optarg);
+ break;
+
+ case 'p' :
+ min_num_peaks_per_panel = atoi(optarg);
+ break;
+
+ case 'l' :
+ only_best_distance = 1;
+ break;
+
+ case 'm' :
+ max_peak_dist = strtof(optarg, NULL);
+ break;
+
+ case 's' :
+ individual_coffset = 1;
+ break;
+ }
+ }
+
+ if ( geometry_filename == NULL ) {
+ ERROR("You must provide a geometry to optimize.\n");
+ return 1;
+ }
+
+ if ( infile == NULL ) {
+ ERROR("You must provide an input stream file.\n");
+ return 1;
+ }
+
+ if ( outfile == NULL ) {
+ ERROR("You must provide an output filename.\n");
+ return 1;
+ }
+
+ if ( quadrant_coll_name == NULL ) {
+ ERROR("You must provide a rigid group collection for quadrants.\n");
+ return 1;
+ }
+
+ if ( connected_coll_name == NULL ) {
+ ERROR("You must provide a rigid group collection for connected "
+ "panels.\n");
+ return 1;
+ }
+
+ strcpy(command_line, "\0");
+
+ quadrants = find_rigid_group_collection_by_name(det, quadrant_coll_name);
+ if ( quadrants == NULL ) {
+ ERROR("Cannot find rigid group collection for quadrants: %s\n",
+ quadrant_coll_name);
+ return 1;
+ }
+
+ connected = find_rigid_group_collection_by_name(det, connected_coll_name);
+ if ( connected == NULL ) {
+ ERROR("Cannot find rigid group collection for connected asics: %s\n",
+ connected_coll_name);
+ return 1;
+ }
+
+ for ( i=0; i<argc; i++ ) {
+ if ( i > 0 ) strcat(command_line, " ");
+ strcpy(buffer, argv[i]);
+ strcat(command_line, buffer);
+ }
+
+ ret_val = optimize_geometry(infile, outfile, geometry_filename, det,
+ quadrants, connected, min_num_peaks_per_pixel,
+ min_num_peaks_per_panel, only_best_distance,
+ nostretch, individual_coffset,
+ max_peak_dist, command_line);
+
+ return ret_val;
+}