diff options
| author | Thomas White <taw@physics.org> | 2015-03-19 17:56:37 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-04-20 15:50:39 +0200 |
| commit | 52fc1532ba4a93f63b82ed4f5382d637dccac3c5 (patch) | |
| tree | 49656dc8a4787732f076294a69cab7961f398aca /libcrystfel/src/geometry.h | |
| parent | 254c019a28b7be2b39674cb84e293be16f68ff4c (diff) | |
Factorise dr/da part of gradient calculation for PR and prediction
Diffstat (limited to 'libcrystfel/src/geometry.h')
| -rw-r--r-- | libcrystfel/src/geometry.h | 19 |
1 files changed, 19 insertions, 0 deletions
diff --git a/libcrystfel/src/geometry.h b/libcrystfel/src/geometry.h index 162c0355..e0d21dda 100644 --- a/libcrystfel/src/geometry.h +++ b/libcrystfel/src/geometry.h @@ -61,12 +61,31 @@ typedef enum { } PartialityModel; + +/* Enumeration of parameters which may want to be refined */ +enum { + GPARAM_ASX, + GPARAM_ASY, + GPARAM_ASZ, + GPARAM_BSX, + GPARAM_BSY, + GPARAM_BSZ, + GPARAM_CSX, + GPARAM_CSY, + GPARAM_CSZ, + GPARAM_R, + GPARAM_DIV, +}; + + extern RefList *find_intersections(struct image *image, Crystal *cryst, PartialityModel pmodel); extern RefList *find_intersections_to_res(struct image *image, Crystal *cryst, PartialityModel pmodel, double max_res); +extern double r_gradient(UnitCell *cell, int k, Reflection *refl, + struct image *image); extern void update_partialities(Crystal *cryst, PartialityModel pmodel); extern void polarisation_correction(RefList *list, UnitCell *cell, struct image *image); |