diff options
Diffstat (limited to 'libcrystfel/src/geometry.c')
| -rw-r--r-- | libcrystfel/src/geometry.c | 192 |
1 files changed, 0 insertions, 192 deletions
diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c index 5289856b..9dc471ee 100644 --- a/libcrystfel/src/geometry.c +++ b/libcrystfel/src/geometry.c @@ -429,69 +429,6 @@ static Reflection *check_reflection(struct image *image, Crystal *cryst, } -double r_gradient(UnitCell *cell, int k, Reflection *refl, struct image *image) -{ - double asx, asy, asz; - double bsx, bsy, bsz; - double csx, csy, csz; - double xl, yl, zl; - signed int hs, ks, ls; - double tl, phi, azi; - - get_symmetric_indices(refl, &hs, &ks, &ls); - - cell_get_reciprocal(cell, &asx, &asy, &asz, - &bsx, &bsy, &bsz, - &csx, &csy, &csz); - xl = hs*asx + ks*bsx + ls*csx; - yl = hs*asy + ks*bsy + ls*csy; - zl = hs*asz + ks*bsz + ls*csz; - - tl = sqrt(xl*xl + yl*yl); - phi = angle_between_2d(tl, zl+1.0/image->lambda, 0.0, 1.0); /* 2theta */ - azi = atan2(yl, xl); /* azimuth */ - - switch ( k ) { - - case GPARAM_ASX : - return - hs * sin(phi) * cos(azi); - - case GPARAM_BSX : - return - ks * sin(phi) * cos(azi); - - case GPARAM_CSX : - return - ls * sin(phi) * cos(azi); - - case GPARAM_ASY : - return - hs * sin(phi) * sin(azi); - - case GPARAM_BSY : - return - ks * sin(phi) * sin(azi); - - case GPARAM_CSY : - return - ls * sin(phi) * sin(azi); - - case GPARAM_ASZ : - return - hs * cos(phi); - - case GPARAM_BSZ : - return - ks * cos(phi); - - case GPARAM_CSZ : - return - ls * cos(phi); - - case GPARAM_DETX : - case GPARAM_DETY : - case GPARAM_CLEN : - return 0.0; - - } - - ERROR("No r gradient defined for parameter %i\n", k); - abort(); -} - - /** * \param cryst: A \ref Crystal * \param max_res: Maximum resolution to predict to (m^-1) @@ -1084,132 +1021,3 @@ void polarisation_correction(RefList *list, UnitCell *cell, set_esd_intensity(refl, sigma / pol); } } - - -/* Returns dfs_refl/dP, where P = any parameter * - * fs_refl is the fast scan position of refl in panel 'p', - * in metres (not pixels) */ -double fs_gradient(int param, Reflection *refl, UnitCell *cell, - struct detgeom_panel *p) -{ - signed int h, k, l; - double xl, zl, kpred; - double asx, asy, asz, bsx, bsy, bsz, csx, csy, csz; - - get_indices(refl, &h, &k, &l); - kpred = get_kpred(refl); - cell_get_reciprocal(cell, &asx, &asy, &asz, - &bsx, &bsy, &bsz, - &csx, &csy, &csz); - xl = h*asx + k*bsx + l*csx; - zl = h*asz + k*bsz + l*csz; - - switch ( param ) { - - case GPARAM_ASX : - return h * p->cnz * p->pixel_pitch / (kpred + zl); - - case GPARAM_BSX : - return k * p->cnz * p->pixel_pitch / (kpred + zl); - - case GPARAM_CSX : - return l * p->cnz * p->pixel_pitch / (kpred + zl); - - case GPARAM_ASY : - return 0.0; - - case GPARAM_BSY : - return 0.0; - - case GPARAM_CSY : - return 0.0; - - case GPARAM_ASZ : - return -h * xl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl); - - case GPARAM_BSZ : - return -k * xl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl); - - case GPARAM_CSZ : - return -l * xl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl); - - case GPARAM_DETX : - return -1; - - case GPARAM_DETY : - return 0; - - case GPARAM_CLEN : - return -xl / (kpred+zl); - - default: - ERROR("Positional gradient requested for parameter %i?\n", param); - abort(); - - } - -} - - -/* Returns dss_refl/dP, where P = any parameter - * ss_refl is the slow scan position of refl in panel 'p', - * in metres (not pixels) */ -double ss_gradient(int param, Reflection *refl, UnitCell *cell, - struct detgeom_panel *p) -{ - signed int h, k, l; - double yl, zl, kpred; - double asx, asy, asz, bsx, bsy, bsz, csx, csy, csz; - - get_indices(refl, &h, &k, &l); - kpred = get_kpred(refl); - cell_get_reciprocal(cell, &asx, &asy, &asz, - &bsx, &bsy, &bsz, - &csx, &csy, &csz); - yl = h*asy + k*bsy + l*csy; - zl = h*asz + k*bsz + l*csz; - - switch ( param ) { - - case GPARAM_ASX : - return 0.0; - - case GPARAM_BSX : - return 0.0; - - case GPARAM_CSX : - return 0.0; - - case GPARAM_ASY : - return h * p->cnz * p->pixel_pitch / (kpred + zl); - - case GPARAM_BSY : - return k * p->cnz * p->pixel_pitch / (kpred + zl); - - case GPARAM_CSY : - return l * p->cnz * p->pixel_pitch / (kpred + zl); - - case GPARAM_ASZ : - return -h * yl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl); - - case GPARAM_BSZ : - return -k * yl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl); - - case GPARAM_CSZ : - return -l * yl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl); - - case GPARAM_DETX : - return 0; - - case GPARAM_DETY : - return -1; - - case GPARAM_CLEN : - return -yl / (kpred+zl); - - default : - ERROR("Positional gradient requested for parameter %i?\n", param); - abort(); - - } -} |