diff options
Diffstat (limited to 'libcrystfel/src')
| -rw-r--r-- | libcrystfel/src/geometry.c | 26 | ||||
| -rw-r--r-- | libcrystfel/src/predict-refine.c | 20 |
2 files changed, 17 insertions, 29 deletions
diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c index adb95e69..68a532b8 100644 --- a/libcrystfel/src/geometry.c +++ b/libcrystfel/src/geometry.c @@ -53,6 +53,7 @@ static int locate_peak_on_panel(double x, double y, double z, double k, struct detgeom_panel *p, + double det_shift_x, double det_shift_y, double *pfs, double *pss) { double ctt, tta, phi; @@ -79,10 +80,10 @@ static int locate_peak_on_panel(double x, double y, double z, double k, gsl_vector_set(t, 1, sin(tta)*sin(phi)); gsl_vector_set(t, 2, ctt); - gsl_matrix_set(M, 0, 0, p->cnx); + gsl_matrix_set(M, 0, 0, p->cnx+(det_shift_x/p->pixel_pitch)); gsl_matrix_set(M, 0, 1, p->fsx); gsl_matrix_set(M, 0, 2, p->ssx); - gsl_matrix_set(M, 1, 0, p->cny); + gsl_matrix_set(M, 1, 0, p->cny+(det_shift_y/p->pixel_pitch)); gsl_matrix_set(M, 1, 1, p->fsy); gsl_matrix_set(M, 1, 2, p->ssy); gsl_matrix_set(M, 2, 0, p->cnz); @@ -118,6 +119,7 @@ static int locate_peak_on_panel(double x, double y, double z, double k, static signed int locate_peak(double x, double y, double z, double k, struct detgeom *det, + double det_shift_x, double det_shift_y, double *pfs, double *pss) { int i; @@ -130,12 +132,9 @@ static signed int locate_peak(double x, double y, double z, double k, p = &det->panels[i]; - if ( locate_peak_on_panel(x, y, z, k, p, pfs, pss) ) { - - /* Woohoo! */ - return i; - - } + if ( locate_peak_on_panel(x, y, z, k, p, + det_shift_x, det_shift_y, + pfs, pss) ) return i; /* Woohoo! */ } @@ -387,9 +386,13 @@ static Reflection *check_reflection(struct image *image, Crystal *cryst, if ( (image->detgeom != NULL) && (updateme != NULL) ) { double fs, ss; + double det_shift_x, det_shift_y; + assert(get_panel_number(updateme) <= image->detgeom->n_panels); + crystal_get_det_shift(cryst, &det_shift_x, &det_shift_y); locate_peak_on_panel(xl, yl, zl, mean_kpred, &image->detgeom->panels[get_panel_number(updateme)], + det_shift_x, det_shift_y, &fs, &ss); set_detector_pos(refl, fs, ss); @@ -401,8 +404,13 @@ static Reflection *check_reflection(struct image *image, Crystal *cryst, double fs, ss; /* position on detector */ signed int p; /* panel number */ + double det_shift_x, det_shift_y; + + crystal_get_det_shift(cryst, &det_shift_x, &det_shift_y); p = locate_peak(xl, yl, zl, mean_kpred, - image->detgeom, &fs, &ss); + image->detgeom, + det_shift_x, det_shift_y, + &fs, &ss); if ( p == -1 ) { reflection_free(refl); return NULL; diff --git a/libcrystfel/src/predict-refine.c b/libcrystfel/src/predict-refine.c index 2432055f..5a7c554f 100644 --- a/libcrystfel/src/predict-refine.c +++ b/libcrystfel/src/predict-refine.c @@ -322,22 +322,6 @@ int refine_radius(Crystal *cr, struct image *image) } -static void update_detector(struct detgeom *det, - double xoffs, double yoffs, double coffs) -{ - int i; - - for ( i=0; i<det->n_panels; i++ ) { - struct detgeom_panel *p = &det->panels[i]; - - /* Convert to pixels */ - p->cnx += xoffs / p->pixel_pitch; - p->cny += yoffs / p->pixel_pitch; - p->cnz += coffs / p->pixel_pitch; - } -} - - static int iterate(struct reflpeak *rps, int n, UnitCell *cell, struct image *image, double *total_x, double *total_y, double *total_z) @@ -503,10 +487,6 @@ static int iterate(struct reflpeak *rps, int n, UnitCell *cell, csx += gsl_vector_get(shifts, 6); csy += gsl_vector_get(shifts, 7); csz += gsl_vector_get(shifts, 8); - update_detector(image->detgeom, - gsl_vector_get(shifts, 9), - gsl_vector_get(shifts, 10), - 0.0); *total_x += gsl_vector_get(shifts, 9); *total_y += gsl_vector_get(shifts, 10); *total_z += 0.0; |