diff options
| -rw-r--r-- | libcrystfel/src/integration.c | 89 |
1 files changed, 67 insertions, 22 deletions
diff --git a/libcrystfel/src/integration.c b/libcrystfel/src/integration.c index f4cab6eb..d9dcb56d 100644 --- a/libcrystfel/src/integration.c +++ b/libcrystfel/src/integration.c @@ -205,6 +205,10 @@ struct intcontext struct image *image; gsl_matrix *bgm; /* Background estimation matrix */ + struct peak_box *boxes; + int n_boxes; + int max_boxes; + /* Peak region sums */ double pks_p2; double pks_q2; @@ -400,6 +404,20 @@ static void zero_profiles(struct intcontext *ic) } + +static int alloc_boxes(struct intcontext *ic, int new_max_boxes) +{ + struct peak_box *boxes_new; + + boxes_new = realloc(ic->boxes, sizeof(struct peak_box)*new_max_boxes); + if ( boxes_new == NULL ) return 1; + + ic->boxes = boxes_new; + ic->max_boxes = new_max_boxes; + return 0; +} + + static int init_intcontext(struct intcontext *ic) { int p, q; @@ -481,10 +499,35 @@ static int init_intcontext(struct intcontext *ic) } zero_profiles(ic); + ic->boxes = NULL; + ic->n_boxes = 0; + ic->max_boxes = 0; + if ( alloc_boxes(ic, 32) ) { + return 1; + } + return 0; } +static struct peak_box *add_box(struct intcontext *ic) +{ + int idx; + + if ( ic->n_boxes == ic->max_boxes ) { + if ( alloc_boxes(ic, ic->max_boxes+32) ) { + return NULL; + } + } + + idx = ic->n_boxes++; + + ic->boxes[idx].verbose = 0; + + return &ic->boxes[idx]; +} + + static double tentative_intensity(struct intcontext *ic, struct peak_box *bx) { int p, q; @@ -622,54 +665,56 @@ static void measure_all_intensities(RefList *list, struct image *image) int pw, ph; double pos_p, pos_q; signed int h, k, l; - struct peak_box bx; + struct peak_box *bx; - bx.verbose = 0; + bx = add_box(&ic); get_indices(refl, &h, &k, &l); if ( (h==-24) && (k==6) && (l==-12) ) { - bx.verbose = 1; + bx->verbose = 1; } get_detector_pos(refl, &pfs, &pss); - bx.fid_fs = lrint(pfs); - bx.fid_ss = lrint(pss); - bx.pn = find_panel_number(image->det, bx.fid_fs, bx.fid_ss); - bx.p = &image->det->panels[bx.pn]; + bx->fid_fs = lrint(pfs); + bx->fid_ss = lrint(pss); + bx->pn = find_panel_number(image->det, bx->fid_fs, bx->fid_ss); + bx->p = &image->det->panels[bx->pn]; - bx.fid_fs -= bx.p->min_fs; - bx.fid_ss -= bx.p->min_ss; + bx->fid_fs -= bx->p->min_fs; + bx->fid_ss -= bx->p->min_ss; - bx.fid_fs -= ic.halfw; - bx.fid_ss -= ic.halfw; + bx->fid_fs -= ic.halfw; + bx->fid_ss -= ic.halfw; - pw = bx.p->w; - ph = bx.p->h; - if ( (bx.fid_fs + ic.w >= pw) || (bx.fid_ss + ic.w >= ph ) ) { + pw = bx->p->w; + ph = bx->p->h; + if ( (bx->fid_fs + ic.w >= pw) || (bx->fid_ss + ic.w >= ph ) ) { continue; } - if ( (bx.fid_fs < 0) || (bx.fid_ss < 0 ) ) { + if ( (bx->fid_fs < 0) || (bx->fid_ss < 0 ) ) { continue; } - fit_bg(&ic, &bx); + fit_bg(&ic, bx); - observed_position(&ic, &bx, &pos_p, &pos_q); + observed_position(&ic, bx, &pos_p, &pos_q); pos_p -= ic.halfw; pos_q -= ic.halfw; - if ( bx.verbose ) { + if ( bx->verbose ) { STATUS("%f %f\n", pos_p, pos_q); } - bx.intensity = tentative_intensity(&ic, &bx); - set_intensity(refl, bx.intensity); + bx->intensity = tentative_intensity(&ic, bx); + set_intensity(refl, bx->intensity); /* Which reference profile? */ - bx.rp = bx.pn; - add_to_reference_profile(&ic, &bx); + bx->rp = bx->pn; + add_to_reference_profile(&ic, bx); } calculate_reference_profiles(&ic); + + } |