diff options
Diffstat (limited to 'libcrystfel/src/predict-refine.c')
| -rw-r--r-- | libcrystfel/src/predict-refine.c | 12 |
1 files changed, 6 insertions, 6 deletions
diff --git a/libcrystfel/src/predict-refine.c b/libcrystfel/src/predict-refine.c index d8547710..e2adacf5 100644 --- a/libcrystfel/src/predict-refine.c +++ b/libcrystfel/src/predict-refine.c @@ -72,7 +72,7 @@ double ss_dev(struct reflpeak *rp, struct detgeom *det) } -double r_gradient(UnitCell *cell, int k, Reflection *refl, struct image *image) +double r_gradient(int param, Reflection *refl, UnitCell *cell, double wavelength) { double asx, asy, asz; double bsx, bsy, bsz; @@ -91,10 +91,10 @@ double r_gradient(UnitCell *cell, int k, Reflection *refl, struct image *image) 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 */ + phi = angle_between_2d(tl, zl+1.0/wavelength, 0.0, 1.0); /* 2theta */ azi = atan2(yl, xl); /* azimuth */ - switch ( k ) { + switch ( param ) { case GPARAM_ASX : return - hs * sin(phi) * cos(azi); @@ -134,7 +134,7 @@ double r_gradient(UnitCell *cell, int k, Reflection *refl, struct image *image) } - ERROR("No r gradient defined for parameter %i\n", k); + ERROR("No r gradient defined for parameter %i\n", param); abort(); } @@ -550,8 +550,8 @@ static int iterate(struct reflpeak *rps, int n, UnitCell *cell, struct image *im w = rps[i].Ih; for ( k=0; k<num_params; k++ ) { - gradients[k] = r_gradient(cell, rv[k], rps[i].refl, - image); + gradients[k] = r_gradient(rv[k], rps[i].refl, cell, + image->lambda); } for ( k=0; k<num_params; k++ ) { |