diff options
Diffstat (limited to 'src/post-refinement.c')
| -rw-r--r-- | src/post-refinement.c | 17 |
1 files changed, 10 insertions, 7 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index 9484da43..d62d9323 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -326,8 +326,8 @@ static void apply_shift(Crystal *cr, int k, double shift) /* Perform one cycle of post refinement on 'image' against 'full' */ static double pr_iterate(Crystal *cr, const RefList *full, - PartialityModel pmodel, int no_scale, int *n_filtered, - int verbose) + PartialityModel pmodel, int no_scale, int no_pr, + int *n_filtered, int verbose) { gsl_matrix *M; gsl_vector *v; @@ -346,7 +346,7 @@ static double pr_iterate(Crystal *cr, const RefList *full, /* If partiality model is anything other than "unity", refine all the * geometrical parameters */ - if ( pmodel != PMODEL_UNITY ) { + if ( (pmodel != PMODEL_UNITY) && !no_pr ) { rv[num_params++] = GPARAM_ASX; rv[num_params++] = GPARAM_ASY; rv[num_params++] = GPARAM_ASZ; @@ -547,7 +547,7 @@ static double residual(Crystal *cr, const RefList *full, int verbose, int free) static struct prdata pr_refine(Crystal *cr, const RefList *full, - PartialityModel pmodel, int no_scale) + PartialityModel pmodel, int no_scale, int no_pr) { int i; int verbose = 0; @@ -584,7 +584,8 @@ static struct prdata pr_refine(Crystal *cr, const RefList *full, cell_get_reciprocal(crystal_get_cell(cr), &asx, &asy, &asz, &bsx, &bsy, &bsz, &csx, &csy, &csz); - pr_iterate(cr, full, pmodel, no_scale, &prdata.n_filtered, 0); + pr_iterate(cr, full, pmodel, no_scale, no_pr, + &prdata.n_filtered, verbose); update_partialities(cr, pmodel); @@ -622,6 +623,7 @@ struct refine_args Crystal *crystal; PartialityModel pmodel; int no_scale; + int no_pr; struct prdata prdata; }; @@ -646,7 +648,7 @@ static void refine_image(void *task, int id) Crystal *cr = pargs->crystal; pargs->prdata = pr_refine(cr, pargs->full, pargs->pmodel, - pargs->no_scale); + pargs->no_scale, pargs->no_pr); } @@ -684,7 +686,7 @@ static void done_image(void *vqargs, void *task) void refine_all(Crystal **crystals, int n_crystals, RefList *full, int nthreads, PartialityModel pmodel, - int no_scale, + int no_scale, int no_pr, double *initial_residual, double *initial_free_residual, double *final_residual, double *final_free_residual) { @@ -697,6 +699,7 @@ void refine_all(Crystal **crystals, int n_crystals, task_defaults.prdata.refined = 0; task_defaults.prdata.n_filtered = 0; task_defaults.no_scale = no_scale; + task_defaults.no_pr = no_pr; qargs.task_defaults = task_defaults; qargs.n_started = 0; |