diff options
| author | Thomas White <taw@physics.org> | 2013-03-07 10:50:13 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2013-04-17 17:33:48 +0200 |
| commit | bc628cd85f512d962828e9b8c5df5a6e6d22fac5 (patch) | |
| tree | 95d9ac47def582023b54884fab131bbc09a746b9 /src/post-refinement.c | |
| parent | 79993f9373e4a7fdcbff8a7d83af4b7289622cf3 (diff) | |
Add the possibility to have different partiality models
Diffstat (limited to 'src/post-refinement.c')
| -rw-r--r-- | src/post-refinement.c | 13 |
1 files changed, 7 insertions, 6 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index 1439b148..f6f4caa5 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -88,7 +88,7 @@ static double partiality_rgradient(double r, double profile_radius) /* Return the gradient of parameter 'k' given the current status of 'image'. */ -double gradient(Crystal *cr, int k, Reflection *refl) +double gradient(Crystal *cr, int k, Reflection *refl, PartialityModel pmodel) { double ds, azix, aziy; double ttlow, tthigh, tt; @@ -364,7 +364,8 @@ static gsl_vector *solve_svd(gsl_vector *v, gsl_matrix *M) /* Perform one cycle of post refinement on 'image' against 'full' */ -static double pr_iterate(Crystal *cr, const RefList *full) +static double pr_iterate(Crystal *cr, const RefList *full, + PartialityModel pmodel) { gsl_matrix *M; gsl_vector *v; @@ -420,7 +421,7 @@ static double pr_iterate(Crystal *cr, const RefList *full) /* Calculate all gradients for this reflection */ for ( k=0; k<NUM_PARAMS; k++ ) { double gr; - gr = gradient(cr, k, refl); + gr = gradient(cr, k, refl, pmodel); gradients[k] = gr; } @@ -532,7 +533,7 @@ static double guide_dev(Crystal *cr, const RefList *full) } -void pr_refine(Crystal *cr, const RefList *full) +void pr_refine(Crystal *cr, const RefList *full, PartialityModel pmodel) { double max_shift, dev; int i; @@ -557,9 +558,9 @@ void pr_refine(Crystal *cr, const RefList *full) cell_get_reciprocal(crystal_get_cell(cr), &asx, &asy, &asz, &bsx, &bsy, &bsz, &csx, &csy, &csz); - max_shift = pr_iterate(cr, full); + max_shift = pr_iterate(cr, full, pmodel); - update_partialities(cr); + update_partialities(cr, pmodel); if ( verbose ) { dev = guide_dev(cr, full); |