From 82888c8fffc2d94b6315be7f629518cc1633281a Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 21 Feb 2012 11:39:39 +0100 Subject: Remove calibrate_detector (moved to extra programs repository) --- src/calibrate_detector.c | 460 ----------------------------------------------- 1 file changed, 460 deletions(-) delete mode 100644 src/calibrate_detector.c (limited to 'src') diff --git a/src/calibrate_detector.c b/src/calibrate_detector.c deleted file mode 100644 index f7316da4..00000000 --- a/src/calibrate_detector.c +++ /dev/null @@ -1,460 +0,0 @@ -/* - * calibrate_detector.c - * - * Attempt to refine detector geometry - * - * (c) 2011 Rick Kirian - * (c) 2006-2011 Thomas White - * - * Part of CrystFEL - crystallography with a FEL - * - */ - - -#ifdef HAVE_CONFIG_H -#include -#endif - -#include -#include -#include -#include -#include -#include -#include -#include -#include - -#include "utils.h" -#include "image.h" -#include "detector.h" -#include "index.h" -#include "hdf5-file.h" -#include "stream.h" -#include "peaks.h" - - -static void show_help(const char *s) -{ - printf("Syntax: %s [options] -i \n\n", s); - printf( -"Stream-based optimisation of detector geometry.\n" -"\n" -" -h, --help Display this help message.\n" -" -g. --geometry= Get detector geometry from file.\n" -" -i, --input= Input filename.\n" -" -m, --method= The calibration method. Choose from:\n" -" xy Determine panel shifts in plane of detector\n" -" -o, --output= Name of output geometry file.\n" -" -n, --npeaks= Don't refine unless this many peaks are found\n" -" in the whole stream.\n" -"\n"); -} - - -static int write_detector_geometry(const char *filename, struct detector *det) -{ - struct panel *p; - int pi; - FILE *fh; - - if ( filename == NULL ) return 2; - if ( det->n_panels < 1 ) return 3; - - fh = fopen(filename, "w"); - if ( fh == NULL ) return 1; - - for ( pi=0; pin_panels; pi++) { - - p = &(det->panels[pi]); - - if ( p == NULL ) return 4; - - fprintf(fh, "%s/min_fs = %d\n", p->name, p->min_fs); - fprintf(fh, "%s/min_ss = %d\n", p->name, p->min_ss); - fprintf(fh, "%s/max_fs = %d\n", p->name, p->max_fs); - fprintf(fh, "%s/max_ss = %d\n", p->name, p->max_ss); - fprintf(fh, "%s/badrow_direction = %C\n", p->name, p->badrow); - fprintf(fh, "%s/res = %g\n", p->name, p->res); - fprintf(fh, "%s/peak_sep = %g\n", p->name, p->peak_sep); - fprintf(fh, "%s/clen = %s\n", p->name, p->clen_from); - fprintf(fh, "%s/fs = %+fx %+fy\n", p->name, p->fsx, p->fsy); - fprintf(fh, "%s/ss = %+fx %+fy\n", p->name, p->ssx, p->ssy); - fprintf(fh, "%s/corner_x = %g\n", p->name, p->cnx); - fprintf(fh, "%s/corner_y = %g\n", p->name, p->cny); - fprintf(fh, "%s/no_index = %d\n", p->name, p->no_index); - - } - fclose(fh); - - return 0; -} - - -static int calculate_projected_peak(struct panel *panel, struct rvec q, - double kk, double *fs, double *ss) -{ - if ( panel == NULL ) return 1; - - double xd, yd, cl; - double plx, ply; - const double den = kk + q.w; - - /* Camera length for this panel */ - cl = panel->clen; - - /* Coordinates of peak relative to central beam, in m */ - xd = cl * q.u / den; - yd = cl * q.v / den; - - /* Convert to pixels */ - xd *= panel->res; - yd *= panel->res; - - /* Convert to relative to the panel corner */ - plx = xd - panel->cnx; - ply = yd - panel->cny; - - *fs = panel->xfs*plx + panel->yfs*ply; - *ss = panel->xss*plx + panel->yss*ply; - - *fs += panel->min_fs; - *ss += panel->min_ss; - - /* Now, is this on this panel? */ - if ( *fs < panel->min_fs ) return 3; - if ( *fs > panel->max_fs ) return 3; - if ( *ss < panel->min_ss ) return 3; - if ( *ss > panel->max_ss ) return 3; - - return 0; -} - - -static struct rvec nearest_bragg(struct image *image, struct rvec q) -{ - struct rvec g; - double ax, ay, az; - double bx, by, bz; - double cx, cy, cz; - double hd, kd, ld; - double h, k, l; - int s; - double U[9]; - double hvec[3]; - - /* Miller indices of nearest Bragg reflection */ - cell_get_cartesian(image->indexed_cell, &ax, &ay, &az, - &bx, &by, &bz, - &cx, &cy, &cz); - - hd = q.u * ax + q.v * ay + q.w * az; - kd = q.u * bx + q.v * by + q.w * bz; - ld = q.u * cx + q.v * cy + q.w * cz; - - h = lrint(hd); - k = lrint(kd); - l = lrint(ld); - - /* Now get scattering vector for reflection hkl - * by solving the equation U*q = h */ - U[0] = ax; U[1] = ay; U[2] = az; - U[3] = bx; U[4] = by; U[5] = bz; - U[6] = cx; U[7] = cy; U[8] = cz; - - hvec[0] = h; hvec[1] = k; hvec[2] = l; - - gsl_matrix_view m = gsl_matrix_view_array(U, 3, 3); - gsl_vector_view b = gsl_vector_view_array(hvec, 3); - gsl_vector *x = gsl_vector_alloc(3); - - gsl_permutation *perm = gsl_permutation_alloc(3); - gsl_linalg_LU_decomp(&m.matrix, perm, &s); - gsl_linalg_LU_solve(&m.matrix, perm, &b.vector, x); - - /* Outgoing wavevector for hkl */ - g.u = x->data[0]; - g.v = x->data[1]; - g.w = x->data[2]; - - return g; -} - - -static void refine_xy(FILE *fh, struct image *image, int minpeaks, - const char *outfilename) -{ - double *weightedSumFS; - double *weightedSumSS; - double *summedWeights; - double *meanShiftFS; - double *meanShiftSS; - int *peaksFound; - double cnx, cny; - double xsh, ysh; - int pi; - int nChunks; - - weightedSumFS = calloc(image->det->n_panels, sizeof(double)); - weightedSumSS = calloc(image->det->n_panels, sizeof(double)); - summedWeights = calloc(image->det->n_panels, sizeof(double)); - peaksFound = calloc(image->det->n_panels, sizeof(double)); - meanShiftFS = calloc(image->det->n_panels, sizeof(double)); - meanShiftSS = calloc(image->det->n_panels, sizeof(double)); - - /* Initialize arrays */ - for (pi=0; pidet->n_panels; pi++) { - weightedSumFS[pi] = 0; - weightedSumSS[pi] = 0; - summedWeights[pi] = 0; - peaksFound[pi] = 0; - meanShiftFS[pi] = 0; - meanShiftSS[pi] = 0; - } - - fesetround(1); /* Round towards nearest */ - - nChunks = 0; - while ( 1 ) { - - int fail; - int nFeatures; - int i; - - /* Get next chunk */ - fail = read_chunk(fh, image); - if ( fail ) break; - nChunks += 1; - - /* Skip if no peaks found */ - if ( image->features == NULL ) { - continue; - } - - /* Loop through peaks to determine mean panel shift */ - nFeatures = image_feature_count(image->features); - - for ( i=0; ifeatures, i); - if ( thisFeature == NULL ) { - continue; - } - - fs = thisFeature->fs; - ss = thisFeature->ss; - - p = find_panel(image->det, fs, ss); - if ( p == NULL ) { - continue; - } - if ( p->no_index ) continue; - - /* Now determine the predicted peak position. - * Scattering vector of this peak */ - q = get_q(image, fs, ss, &twotheta, 1.0/image->lambda); - - /* Scattering vector of nearest bragg peak */ - g = nearest_bragg(image, q); - - /* Coordinate of this predicted peak */ - fail = calculate_projected_peak(p, g, 1.0/image->lambda, - &pfs, &pss); - if ( fail != 0 ) continue; - - /* Finally, we have the shift for this peak */ - dfs = pfs - fs; - dss = pss - ss; - - /* Add this shift to the weighted sum over shifts */ - pi = find_panel_number(image->det,fs,ss); - thisWeight = 1.0; - weightedSumFS[pi] += thisWeight*dfs; - weightedSumSS[pi] += thisWeight*dss; - summedWeights[pi] += thisWeight; - peaksFound[pi] += 1; - - } - - } - - /* Calculate weighted average shift in peak positions */ - for ( pi=0; pidet->n_panels; pi++ ) { - meanShiftFS[pi] = weightedSumFS[pi]/summedWeights[pi]; - meanShiftSS[pi] = weightedSumSS[pi]/summedWeights[pi]; - } - - /* Populate the image structure with new geometry info */ - for ( pi=0; pidet->n_panels; pi++ ) { - - struct panel *p; - - p = &image->det->panels[pi]; - - xsh = 0; - ysh = 0; - - if ( peaksFound[pi] >= minpeaks ) { - - /* Convert shifts from raw coords to lab frame */ - xsh = meanShiftFS[pi]*p->fsx + meanShiftSS[pi]*p->ssx; - ysh = meanShiftFS[pi]*p->fsy + meanShiftSS[pi]*p->ssy; - - /* Add shifts to original panel corner locations */ - cnx = p->cnx + xsh; - cny = p->cny + ysh; - - } else { - - /* Not refined? use original coordinates */ - cnx = p->cnx; - cny = p->cny; - - } - - image->det->panels[pi].cnx = cnx; - image->det->panels[pi].cny = cny; - if ( peaksFound[pi] < minpeaks) { - image->det->panels[pi].no_index = 1; - } - - STATUS("Panel %s, # peaks: %10d, mean shifts: %f %f\n", - p->name, peaksFound[pi], xsh, ysh); - - } - - /* Write the new geometry file */ - write_detector_geometry(outfilename, image->det); -} - - -int main(int argc, char *argv[]) -{ - char c; - struct image image; - char *filename = NULL; - char *geometry = NULL; - char *method = NULL; - char *outputfile = NULL; - FILE *fh = NULL; - FILE *outfh = NULL; - int minpeaks = 0; - - /* Long options */ - const struct option longopts[] = { - {"help", 0, NULL, 'h'}, - {"input", 1, NULL, 'i'}, - {"geometry", 1, NULL, 'g'}, - {"method", 1, NULL, 'm'}, - {"output", 1, NULL, 'o'}, - {"npeaks", 1, NULL, 'n'}, - {0, 0, NULL, 0} - }; - - /* Short options */ - while ((c = getopt_long(argc, argv, "hi:g:m:o:n:", - longopts, NULL)) != -1) { - - switch (c) { - case 'h' : - show_help(argv[0]); - return 0; - case 'i' : - filename = strdup(optarg); - break; - case 'g' : - geometry = strdup(optarg); - break; - case 'm' : - method = strdup(optarg); - break; - case 'o' : - outputfile = strdup(optarg); - break; - case 'n' : - minpeaks = atoi(optarg); - break; - case 0 : - break; - default : - return 1; - } - - } - - if ( filename == NULL ) { - ERROR("You must specify the input filename with -i\n"); - return 1; - } - - fh = fopen(filename,"r"); - if ( fh == NULL ) { - ERROR("Couldn't open file '%s'\n", filename); - return 1; - } - - if ( geometry == NULL ) { - ERROR("You need to specify a geometry file with --geometry\n"); - return 1; - } - - image.det = get_detector_geometry(geometry); - if ( image.det == NULL ) { - ERROR("Failed to read detector geometry from %s\n", geometry); - return 1; - } - free(geometry); - - image.width = image.det->max_fs; - image.height = image.det->max_ss; - - if ( outputfile != NULL ) { - STATUS("Writing result to '%s'\n", outputfile); - outfh = fopen(outputfile, "w"); - } else { - ERROR("You need to specify an output file.\n"); - return 1; - } - - if ( minpeaks == 0 ) { - minpeaks = 1; - STATUS("You did not specify minimum number of peaks.\n"); - STATUS("Using default value of %d\n", minpeaks); - } - - if ( method == NULL ) { - STATUS("You did not specify a refinement method " - "- using default.\n"); - method = strdup("xy"); - } - - if ( strcmp(method,"xy") == 0 ) { - - STATUS("Using refinement method %s\n", method); - - refine_xy(fh, &image, minpeaks, outputfile); - - } else { - - printf("Refinement method %s not recognized\n",method); - return 1; - - } - - fclose(outfh); - - return 0; -} -- cgit v1.2.3