/* * detector.c * * Detector properties * * Copyright © 2012 Thomas White * Copyright © 2012 Richard Kirian * * 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 . * */ #define _ISOC99_SOURCE #define _GNU_SOURCE #include #include #include #include #include #include #include "image.h" #include "utils.h" #include "detector.h" #include "beam-parameters.h" #include "hdf5-file.h" /** * SECTION:detector * @short_description: Detector geometry * @title: Detector * @section_id: * @see_also: * @include: "detector.h" * @Image: * * This structure represents the detector geometry */ static int atob(const char *a) { if ( strcasecmp(a, "true") == 0 ) return 1; if ( strcasecmp(a, "false") == 0 ) return 0; return atoi(a); } static int assplode_algebraic(const char *a_orig, char ***pbits) { int len, i; int nexp; char **bits; char *a; int idx, istr; len = strlen(a_orig); /* Add plus at start if no sign there already */ if ( (a_orig[0] != '+') && (a_orig[0] != '-') ) { len += 1; a = malloc(len+1); snprintf(a, len+1, "+%s", a_orig); a[len] = '\0'; } else { a = strdup(a_orig); } /* Count the expressions */ nexp = 0; for ( i=0; i= 0 ) bits[idx][istr] = '\0'; idx++; bits[idx] = malloc(len+1); istr = 0; } if ( !isdigit(ch) && (ch != '.') && (ch != 'x') && (ch != 'y') && (ch != '+') && (ch != '-') ) { ERROR("Invalid character '%C' found.\n", ch); return 0; } assert(idx >= 0); bits[idx][istr++] = ch; } if ( idx >= 0 ) bits[idx][istr] = '\0'; *pbits = bits; free(a); return nexp; } /* Parses the scan directions (accounting for possible rotation) * Assumes all white spaces have been already removed */ static int dir_conv(const char *a, double *sx, double *sy) { int n; char **bits; int i; *sx = 0.0; *sy = 0.0; n = assplode_algebraic(a, &bits); if ( n == 0 ) { ERROR("Invalid direction '%s'\n", a); return 1; } for ( i=0; i %5.2fx + %5.2fy\n", a, *sx, *sy); return 0; } struct rvec get_q_for_panel(struct panel *p, double fs, double ss, double *ttp, double k) { struct rvec q; double twotheta, r, az; double rx, ry; double xs, ys; /* Convert xs and ys, which are in fast scan/slow scan coordinates, * to x and y */ xs = fs*p->fsx + ss*p->ssx; ys = fs*p->fsy + ss*p->ssy; rx = (xs + p->cnx) / p->res; ry = (ys + p->cny) / p->res; /* Calculate q-vector for this sub-pixel */ r = sqrt(pow(rx, 2.0) + pow(ry, 2.0)); twotheta = atan2(r, p->clen); az = atan2(ry, rx); if ( ttp != NULL ) *ttp = twotheta; q.u = k * sin(twotheta)*cos(az); q.v = k * sin(twotheta)*sin(az); q.w = k * (cos(twotheta) - 1.0); return q; } struct rvec get_q(struct image *image, double fs, double ss, double *ttp, double k) { struct panel *p; const unsigned int fsi = fs; const unsigned int ssi = ss; /* Explicit rounding */ /* Determine which panel to use */ p = find_panel(image->det, fsi, ssi); assert(p != NULL); return get_q_for_panel(p, fs-(double)p->min_fs, ss-(double)p->min_ss, ttp, k); } int in_bad_region(struct detector *det, double fs, double ss) { double rx, ry; struct panel *p; double xs, ys; int i; /* Determine which panel to use */ p = find_panel(det, fs, ss); /* No panel found -> definitely bad! */ if ( p == NULL ) return 1; /* Convert xs and ys, which are in fast scan/slow scan coordinates, * to x and y */ xs = (fs-(double)p->min_fs)*p->fsx + (ss-(double)p->min_ss)*p->ssx; ys = (fs-(double)p->min_fs)*p->fsy + (ss-(double)p->min_ss)*p->ssy; rx = xs + p->cnx; ry = ys + p->cny; for ( i=0; in_bad; i++ ) { struct badregion *b = &det->bad[i]; if ( rx < b->min_x ) continue; if ( rx > b->max_x ) continue; if ( ry < b->min_y ) continue; if ( ry > b->max_y ) continue; return 1; } return 0; } double get_tt(struct image *image, double fs, double ss) { double r, rx, ry; struct panel *p; double xs, ys; p = find_panel(image->det, fs, ss); /* Convert xs and ys, which are in fast scan/slow scan coordinates, * to x and y */ xs = (fs-p->min_fs)*p->fsx + (ss-p->min_ss)*p->ssx; ys = (fs-p->min_fs)*p->fsy + (ss-p->min_ss)*p->ssy; rx = (xs + p->cnx) / p->res; ry = (ys + p->cny) / p->res; r = sqrt(pow(rx, 2.0) + pow(ry, 2.0)); return atan2(r, p->clen); } void record_image(struct image *image, int do_poisson) { int x, y; double total_energy, energy_density; double ph_per_e; double area; double max_tt = 0.0; int n_inf1 = 0; int n_neg1 = 0; int n_nan1 = 0; int n_inf2 = 0; int n_neg2 = 0; int n_nan2 = 0; /* How many photons are scattered per electron? */ area = M_PI*pow(image->beam->beam_radius, 2.0); total_energy = image->beam->fluence * ph_lambda_to_en(image->lambda); energy_density = total_energy / area; ph_per_e = (image->beam->fluence /area) * pow(THOMSON_LENGTH, 2.0); STATUS("Fluence = %8.2e photons, " "Energy density = %5.3f kJ/cm^2, " "Total energy = %5.3f microJ\n", image->beam->fluence, energy_density/1e7, total_energy*1e6); for ( x=0; xwidth; x++ ) { for ( y=0; yheight; y++ ) { double counts; double cf; double intensity, sa; double pix_area, Lsq; double xs, ys, rx, ry; double dsq, proj_area; struct panel *p; intensity = (double)image->data[x + image->width*y]; if ( isinf(intensity) ) n_inf1++; if ( intensity < 0.0 ) n_neg1++; if ( isnan(intensity) ) n_nan1++; p = find_panel(image->det, x, y); /* Area of one pixel */ pix_area = pow(1.0/p->res, 2.0); Lsq = pow(p->clen, 2.0); /* Area of pixel as seen from crystal (approximate) */ proj_area = pix_area * cos(image->twotheta[x + image->width*y]); /* Calculate distance from crystal to pixel */ xs = (x-p->min_fs)*p->fsx + (y-p->min_ss)*p->ssx; ys = (x-p->min_fs)*p->fsy + (y-p->min_ss)*p->ssy; rx = (xs + p->cnx) / p->res; ry = (ys + p->cny) / p->res; dsq = sqrt(pow(rx, 2.0) + pow(ry, 2.0)); /* Projected area of pixel divided by distance squared */ sa = proj_area / (dsq + Lsq); if ( do_poisson ) { counts = poisson_noise(intensity * ph_per_e * sa * image->beam->dqe ); } else { cf = intensity * ph_per_e * sa * image->beam->dqe; counts = cf; } image->data[x + image->width*y] = counts * image->beam->adu_per_photon; /* Sanity checks */ if ( isinf(image->data[x+image->width*y]) ) n_inf2++; if ( isnan(image->data[x+image->width*y]) ) n_nan2++; if ( image->data[x+image->width*y] < 0.0 ) n_neg2++; if ( image->twotheta[x + image->width*y] > max_tt ) { max_tt = image->twotheta[x + image->width*y]; } } progress_bar(x, image->width-1, "Post-processing"); } STATUS("Max 2theta = %.2f deg, min d = %.2f nm\n", rad2deg(max_tt), (image->lambda/(2.0*sin(max_tt/2.0)))/1e-9); double tt_side = image->twotheta[(image->width/2)+image->width*0]; STATUS("At middle of bottom edge: %.2f deg, min d = %.2f nm\n", rad2deg(tt_side), (image->lambda/(2.0*sin(tt_side/2.0)))/1e-9); tt_side = image->twotheta[0+image->width*(image->height/2)]; STATUS("At middle of left edge: %.2f deg, min d = %.2f nm\n", rad2deg(tt_side), (image->lambda/(2.0*sin(tt_side/2.0)))/1e-9); STATUS("Halve the d values to get the voxel size for a synthesis.\n"); if ( n_neg1 + n_inf1 + n_nan1 + n_neg2 + n_inf2 + n_nan2 ) { ERROR("WARNING: The raw calculation produced %i negative" " values, %i infinities and %i NaNs.\n", n_neg1, n_inf1, n_nan1); ERROR("WARNING: After processing, there were %i negative" " values, %i infinities and %i NaNs.\n", n_neg2, n_inf2, n_nan2); } } struct panel *find_panel(struct detector *det, double fs, double ss) { int p; for ( p=0; pn_panels; p++ ) { if ( (fs >= det->panels[p].min_fs) && (fs <= det->panels[p].max_fs) && (ss >= det->panels[p].min_ss) && (ss <= det->panels[p].max_ss) ) { return &det->panels[p]; } } return NULL; } int find_panel_number(struct detector *det, int fs, int ss) { int p; for ( p=0; pn_panels; p++ ) { if ( (fs >= det->panels[p].min_fs) && (fs <= det->panels[p].max_fs) && (ss >= det->panels[p].min_ss) && (ss <= det->panels[p].max_ss) ) return p; } return -1; } void fill_in_values(struct detector *det, struct hdfile *f) { int i; for ( i=0; in_panels; i++ ) { struct panel *p = &det->panels[i]; if ( p->clen_from != NULL ) { p->clen = get_value(f, p->clen_from) * 1.0e-3; free(p->clen_from); p->clen_from = NULL; } p->clen += p->coffset; } } static struct panel *new_panel(struct detector *det, const char *name) { struct panel *new; det->n_panels++; det->panels = realloc(det->panels, det->n_panels*sizeof(struct panel)); new = &det->panels[det->n_panels-1]; memcpy(new, &det->defaults, sizeof(struct panel)); /* Create a new copy of the camera length location if needed */ if ( new->clen_from != NULL ) { new->clen_from = strdup(new->clen_from); } strcpy(new->name, name); return new; } static struct badregion *new_bad_region(struct detector *det, const char *name) { struct badregion *new; det->n_bad++; det->bad = realloc(det->bad, det->n_bad*sizeof(struct badregion)); new = &det->bad[det->n_bad-1]; new->min_x = NAN; new->max_x = NAN; new->min_y = NAN; new->max_y = NAN; strcpy(new->name, name); return new; } struct panel *find_panel_by_name(struct detector *det, const char *name) { int i; for ( i=0; in_panels; i++ ) { if ( strcmp(det->panels[i].name, name) == 0 ) { return &det->panels[i]; } } return NULL; } static struct badregion *find_bad_region_by_name(struct detector *det, const char *name) { int i; for ( i=0; in_bad; i++ ) { if ( strcmp(det->bad[i].name, name) == 0 ) { return &det->bad[i]; } } return NULL; } static char *find_or_add_rg(struct detector *det, const char *name) { int i; char **new; char *tmp; for ( i=0; inum_rigid_groups; i++ ) { if ( strcmp(det->rigid_groups[i], name) == 0 ) { return det->rigid_groups[i]; } } new = realloc(det->rigid_groups, (1+det->num_rigid_groups)*sizeof(char *)); if ( new == NULL ) return NULL; det->rigid_groups = new; tmp = strdup(name); det->rigid_groups[det->num_rigid_groups] = tmp; det->num_rigid_groups++; return tmp; } static int parse_field_for_panel(struct panel *panel, const char *key, const char *val, struct detector *det) { int reject = 0; if ( strcmp(key, "min_fs") == 0 ) { panel->min_fs = atof(val); } else if ( strcmp(key, "max_fs") == 0 ) { panel->max_fs = atof(val); } else if ( strcmp(key, "min_ss") == 0 ) { panel->min_ss = atof(val); } else if ( strcmp(key, "max_ss") == 0 ) { panel->max_ss = atof(val); } else if ( strcmp(key, "corner_x") == 0 ) { panel->cnx = atof(val); } else if ( strcmp(key, "corner_y") == 0 ) { panel->cny = atof(val); } else if ( strcmp(key, "rigid_group") == 0 ) { panel->rigid_group = find_or_add_rg(det, val); } else if ( strcmp(key, "clen") == 0 ) { char *end; double v = strtod(val, &end); if ( end == val ) { /* This means "fill in later" */ panel->clen = -1.0; panel->clen_from = strdup(val); } else { panel->clen = v; panel->clen_from = NULL; } } else if ( strcmp(key, "coffset") == 0) { panel->coffset = atof(val); } else if ( strcmp(key, "res") == 0 ) { panel->res = atof(val); } else if ( strcmp(key, "peak_sep") == 0 ) { panel->peak_sep = atof(val); } else if ( strcmp(key, "integr_radius") == 0 ) { panel->integr_radius = atof(val); } else if ( strcmp(key, "badrow_direction") == 0 ) { panel->badrow = val[0]; /* First character only */ if ( (panel->badrow != 'x') && (panel->badrow != 'y') && (panel->badrow != 'f') && (panel->badrow != 's') && (panel->badrow != '-') ) { ERROR("badrow_direction must be x, y, f, s or '-'\n"); ERROR("Assuming '-'\n."); panel->badrow = '-'; } if ( panel->badrow == 'x' ) panel->badrow = 'f'; if ( panel->badrow == 'y' ) panel->badrow = 's'; } else if ( strcmp(key, "no_index") == 0 ) { panel->no_index = atob(val); } else if ( strcmp(key, "fs") == 0 ) { if ( dir_conv(val, &panel->fsx, &panel->fsy) != 0 ) { ERROR("Invalid fast scan direction '%s'\n", val); reject = 1; } } else if ( strcmp(key, "ss") == 0 ) { if ( dir_conv(val, &panel->ssx, &panel->ssy) != 0 ) { ERROR("Invalid slow scan direction '%s'\n", val); reject = 1; } } else { ERROR("Unrecognised field '%s'\n", key); } return reject; } static int parse_field_bad(struct badregion *panel, const char *key, const char *val) { int reject = 0; if ( strcmp(key, "min_x") == 0 ) { panel->min_x = atof(val); } else if ( strcmp(key, "max_x") == 0 ) { panel->max_x = atof(val); } else if ( strcmp(key, "min_y") == 0 ) { panel->min_y = atof(val); } else if ( strcmp(key, "max_y") == 0 ) { panel->max_y = atof(val); } else { ERROR("Unrecognised field '%s'\n", key); } return reject; } static void parse_toplevel(struct detector *det, const char *key, const char *val) { if ( strcmp(key, "mask") == 0 ) { det->mask = strdup(val); } else if ( strcmp(key, "mask_bad") == 0 ) { char *end; double v = strtod(val, &end); if ( end != val ) { det->mask_bad = v; } } else if ( strcmp(key, "mask_good") == 0 ) { char *end; double v = strtod(val, &end); if ( end != val ) { det->mask_good = v; } } else if ( strcmp(key, "peak_sep") == 0 ) { det->defaults.peak_sep = atof(val); } else if ( strcmp(key, "integr_radius") == 0 ) { det->defaults.integr_radius = atof(val); } else if ( strcmp(key, "coffset") == 0 ) { det->defaults.coffset = atof(val); } else if ( parse_field_for_panel(&det->defaults, key, val, det) ) { ERROR("Unrecognised top level field '%s'\n", key); } } struct detector *get_detector_geometry(const char *filename) { FILE *fh; struct detector *det; char *rval; char **bits; int i; int reject = 0; int x, y, max_fs, max_ss; fh = fopen(filename, "r"); if ( fh == NULL ) return NULL; det = calloc(1, sizeof(struct detector)); if ( det == NULL ) { fclose(fh); return NULL; } det->n_panels = 0; det->panels = NULL; det->n_bad = 0; det->bad = NULL; det->mask_good = 0; det->mask_bad = 0; det->mask = NULL; det->num_rigid_groups = 0; det->rigid_groups = NULL; /* The default defaults... */ det->defaults.min_fs = -1; det->defaults.min_ss = -1; det->defaults.max_fs = -1; det->defaults.max_ss = -1; det->defaults.cnx = NAN; det->defaults.cny = NAN; det->defaults.clen = -1.0; det->defaults.coffset = 0.0; det->defaults.res = -1.0; det->defaults.badrow = '-'; det->defaults.no_index = 0; det->defaults.peak_sep = 50.0; det->defaults.integr_radius = 3.0; det->defaults.fsx = 1.0; det->defaults.fsy = 0.0; det->defaults.ssx = 0.0; det->defaults.ssy = 1.0; det->defaults.rigid_group = NULL; strncpy(det->defaults.name, "", 1023); do { int n1, n2; char **path; char line[1024]; struct badregion *badregion = NULL; struct panel *panel = NULL; char *key; char wholeval[1024]; rval = fgets(line, 1023, fh); if ( rval == NULL ) break; chomp(line); if ( line[0] == ';' ) continue; n1 = assplode(line, " \t", &bits, ASSPLODE_NONE); if ( n1 < 3 ) { for ( i=0; in_panels == -1 ) { ERROR("No panel descriptions in geometry file.\n"); fclose(fh); free(det); return NULL; } max_fs = 0; max_ss = 0; for ( i=0; in_panels; i++ ) { if ( det->panels[i].min_fs < 0 ) { ERROR("Please specify the minimum FS coordinate for" " panel %s\n", det->panels[i].name); reject = 1; } if ( det->panels[i].max_fs < 0 ) { ERROR("Please specify the maximum FS coordinate for" " panel %s\n", det->panels[i].name); reject = 1; } if ( det->panels[i].min_ss < 0 ) { ERROR("Please specify the minimum SS coordinate for" " panel %s\n", det->panels[i].name); reject = 1; } if ( det->panels[i].max_ss < 0 ) { ERROR("Please specify the maximum SS coordinate for" " panel %s\n", det->panels[i].name); reject = 1; } if ( isnan(det->panels[i].cnx) ) { ERROR("Please specify the corner X coordinate for" " panel %s\n", det->panels[i].name); reject = 1; } if ( isnan(det->panels[i].cny) ) { ERROR("Please specify the corner Y coordinate for" " panel %s\n", det->panels[i].name); reject = 1; } if ( (det->panels[i].clen < 0.0) && (det->panels[i].clen_from == NULL) ) { ERROR("Please specify the camera length for" " panel %s\n", det->panels[i].name); reject = 1; } if ( det->panels[i].res < 0 ) { ERROR("Please specify the resolution for" " panel %s\n", det->panels[i].name); reject = 1; } /* It's OK if the badrow direction is '0' */ /* It's not a problem if "no_index" is still zero */ /* The default peak_sep is OK (maybe) */ /* The default transformation matrix is at least valid */ if ( det->panels[i].max_fs > max_fs ) { max_fs = det->panels[i].max_fs; } if ( det->panels[i].max_ss > max_ss ) { max_ss = det->panels[i].max_ss; } } for ( i=0; in_bad; i++ ) { if ( isnan(det->bad[i].min_x) ) { ERROR("Please specify the minimum x coordinate for" " bad region %s\n", det->bad[i].name); reject = 1; } if ( isnan(det->bad[i].min_y) ) { ERROR("Please specify the minimum y coordinate for" " bad region %s\n", det->bad[i].name); reject = 1; } if ( isnan(det->bad[i].max_x) ) { ERROR("Please specify the maximum x coordinate for" " bad region %s\n", det->bad[i].name); reject = 1; } if ( isnan(det->bad[i].max_y) ) { ERROR("Please specify the maximum y coordinate for" " bad region %s\n", det->bad[i].name); reject = 1; } } for ( x=0; x<=max_fs; x++ ) { for ( y=0; y<=max_ss; y++ ) { if ( find_panel(det, x, y) == NULL ) { ERROR("Detector geometry invalid: contains gaps.\n"); reject = 1; goto out; } } } out: det->max_fs = max_fs; det->max_ss = max_ss; /* Calculate matrix inverse */ for ( i=0; in_panels; i++ ) { struct panel *p; double d; p = &det->panels[i]; if ( p->fsx*p->ssy == p->ssx*p->fsy ) { ERROR("Panel %i transformation singular.\n", i); reject = 1; } d = (double)p->fsx*p->ssy - p->ssx*p->fsy; p->xfs = p->ssy / d; p->yfs = -p->ssx / d; p->xss = -p->fsy / d; p->yss = p->fsx / d; } if ( reject ) return NULL; fclose(fh); return det; } void free_detector_geometry(struct detector *det) { int i; for ( i=0; inum_rigid_groups; i++ ) { free(det->rigid_groups[i]); } free(det->rigid_groups); for ( i=0; in_panels; i++ ) { free(det->panels[i].clen_from); } free(det->panels); free(det->bad); free(det->mask); free(det); } struct detector *copy_geom(const struct detector *in) { struct detector *out; int i; out = malloc(sizeof(struct detector)); memcpy(out, in, sizeof(struct detector)); if ( in->mask != NULL ) { out->mask = strdup(in->mask); } else { out->mask = NULL; /* = in->mask */ } out->panels = malloc(out->n_panels * sizeof(struct panel)); memcpy(out->panels, in->panels, out->n_panels * sizeof(struct panel)); out->bad = malloc(out->n_bad * sizeof(struct badregion)); memcpy(out->bad, in->bad, out->n_bad * sizeof(struct badregion)); if ( in->rigid_groups != NULL ) { out->rigid_groups = malloc(out->num_rigid_groups*sizeof(char *)); memcpy(out->rigid_groups, in->rigid_groups, out->num_rigid_groups*sizeof(char *)); for ( i=0; inum_rigid_groups; i++ ) { out->rigid_groups[i] = strdup(in->rigid_groups[i]); } } for ( i=0; in_panels; i++ ) { struct panel *p; p = &out->panels[i]; if ( p->clen_from != NULL ) { /* Make a copy of the clen_from fields unique to this * copy of the structure. */ p->clen_from = strdup(p->clen_from); } } for ( i=0; inum_rigid_groups; i++ ) { int j; char *rg = in->rigid_groups[i]; char *rgn = out->rigid_groups[i]; for ( j=0; jn_panels; j++ ) { if ( in->panels[j].rigid_group == rg ) { out->panels[j].rigid_group = rgn; } } } return out; } struct detector *simple_geometry(const struct image *image) { struct detector *geom; geom = calloc(1, sizeof(struct detector)); geom->n_panels = 1; geom->panels = calloc(1, sizeof(struct panel)); geom->panels[0].min_fs = 0; geom->panels[0].max_fs = image->width-1; geom->panels[0].min_ss = 0; geom->panels[0].max_ss = image->height-1; geom->panels[0].cnx = -image->width / 2.0; geom->panels[0].cny = -image->height / 2.0; geom->panels[0].rigid_group = NULL; geom->panels[0].fsx = 1; geom->panels[0].fsy = 0; geom->panels[0].ssx = 0; geom->panels[0].ssy = 1; geom->panels[0].xfs = 1; geom->panels[0].xss = 0; geom->panels[0].yfs = 0; geom->panels[0].yss = 1; return geom; } int reverse_2d_mapping(double x, double y, double *pfs, double *pss, struct detector *det) { int i; for ( i=0; in_panels; i++ ) { struct panel *p = &det->panels[i]; double cx, cy, fs, ss; /* Get position relative to corner */ cx = x - p->cnx; cy = y - p->cny; /* Reverse the transformation matrix */ fs = cx*p->xfs + cy*p->yfs; ss = cx*p->xss + cy*p->yss; /* In range? */ if ( fs < 0 ) continue; if ( ss < 0 ) continue; if ( fs > p->max_fs-p->min_fs ) continue; if ( ss > p->max_ss-p->min_ss ) continue; *pfs = fs + p->min_fs; *pss = ss + p->min_ss; return 0; } return 1; } static void check_extents(struct panel p, double *min_x, double *min_y, double *max_x, double *max_y, double fs, double ss) { double xs, ys, rx, ry; xs = fs*p.fsx + ss*p.ssx; ys = fs*p.fsy + ss*p.ssy; rx = xs + p.cnx; ry = ys + p.cny; if ( rx > *max_x ) *max_x = rx; if ( ry > *max_y ) *max_y = ry; if ( rx < *min_x ) *min_x = rx; if ( ry < *min_y ) *min_y = ry; } double largest_q(struct image *image) { int fs, ss; double ttm = 0.0; double qmax = 0.0; for ( fs=0; fswidth; fs++ ) { for ( ss=0; ssheight; ss++ ) { struct rvec q; double tt; q = get_q(image, fs, ss, &tt, 1.0/image->lambda); if ( tt > ttm ) { qmax = modulus(q.u, q.v, q.w); ttm = tt; } } } return qmax; } double smallest_q(struct image *image) { int fs, ss; double ttm = +INFINITY; double qmin = +INFINITY; for ( fs=0; fswidth; fs++ ) { for ( ss=0; ssheight; ss++ ) { struct rvec q; double tt; q = get_q(image, fs, ss, &tt, 1.0/image->lambda); if ( tt < ttm ) { qmin = modulus(q.u, q.v, q.w); ttm = tt; } } } return qmin; } void get_pixel_extents(struct detector *det, double *min_x, double *min_y, double *max_x, double *max_y) { int i; *min_x = 0.0; *max_x = 0.0; *min_y = 0.0; *max_y = 0.0; /* To determine the maximum extents of the detector, put all four * corners of each panel through the transformations and watch for the * biggest */ for ( i=0; in_panels; i++ ) { check_extents(det->panels[i], min_x, min_y, max_x, max_y, 0.0, 0.0); check_extents(det->panels[i], min_x, min_y, max_x, max_y, 0.0, det->panels[i].max_ss-det->panels[i].min_ss+1); check_extents(det->panels[i], min_x, min_y, max_x, max_y, det->panels[i].max_fs-det->panels[i].min_fs+1, 0.0); check_extents(det->panels[i], min_x, min_y, max_x, max_y, det->panels[i].max_fs-det->panels[i].min_fs+1, det->panels[i].max_ss-det->panels[i].min_ss+1); } } 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; if ( pi > 0 ) fprintf(fh, "\n"); 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); if ( p->no_index ) { fprintf(fh, "%s/no_index = 1\n", p->name); } /* else don't clutter up the file */ if ( p->rigid_group != NULL ) { fprintf(fh, "%s/rigid_group = %s\n", p->name, p->rigid_group); } } fclose(fh); return 0; }