diff options
| -rw-r--r-- | src/facetron.c | 16 |
1 files changed, 16 insertions, 0 deletions
diff --git a/src/facetron.c b/src/facetron.c index a0c2b6e4..cf4f099e 100644 --- a/src/facetron.c +++ b/src/facetron.c @@ -43,6 +43,7 @@ /* Refineable parameters */ enum { REF_SCALE, + REF_DIV, NUM_PARAMS }; @@ -86,11 +87,21 @@ struct refine_args static double gradient(struct image *image, int k, struct cpeak spot, double I_partial) { + double ds; + double nom, den; + + ds = 2.0 * resolution(image->indexed_cell, spot.h, spot.k, spot.l); + switch ( k ) { case REF_SCALE : return I_partial; + case REF_DIV : + nom = sqrt(2.0) * ds * sin(image->div); + den = sqrt(1.0 - cos(image->div)); + return nom/den; + } ERROR("No gradient defined for parameter %i\n", k); @@ -107,6 +118,11 @@ static void apply_shift(struct image *image, int k, double shift) image->osf += shift; break; + case REF_DIV : + STATUS("Shifting div by %e\n", shift); + image->div += shift; + break; + default : ERROR("No shift defined for parameter %i\n", k); abort(); |