diff options
Diffstat (limited to 'src/partialator.c')
-rw-r--r-- | src/partialator.c | 33 |
1 files changed, 9 insertions, 24 deletions
diff --git a/src/partialator.c b/src/partialator.c index 9bdb684b..19449590 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -85,6 +85,7 @@ struct refine_args RefList *full; Crystal *crystal; PartialityModel pmodel; + int no_scale; struct prdata prdata; }; @@ -105,7 +106,8 @@ static void refine_image(void *task, int id) struct refine_args *pargs = task; Crystal *cr = pargs->crystal; - pargs->prdata = pr_refine(cr, pargs->full, pargs->pmodel); + pargs->prdata = pr_refine(cr, pargs->full, pargs->pmodel, + pargs->no_scale); } @@ -148,10 +150,6 @@ static void refine_all(Crystal **crystals, int n_crystals, struct refine_args task_defaults; struct queue_args qargs; - /* If the partiality model is "p=1", this refinement is really, really - * easy... */ - if ( pmodel == PMODEL_UNITY ) return; - task_defaults.full = full; task_defaults.crystal = NULL; task_defaults.pmodel = pmodel; @@ -641,15 +639,8 @@ int main(int argc, char *argv[]) // early_rejection(crystals, n_crystals); /* Make initial estimates */ - STATUS("Performing initial scaling.\n"); - if ( noscale ) { - STATUS("Skipping scaling step (--no-scale).\n"); - full = lsq_intensities(crystals, n_crystals, nthreads, pmodel, - min_measurements); - } else { - full = scale_intensities(crystals, n_crystals, nthreads, pmodel, - min_measurements); - } + full = lsq_intensities(crystals, n_crystals, nthreads, pmodel, + min_measurements); check_rejection(crystals, n_crystals); @@ -668,11 +659,11 @@ int main(int argc, char *argv[]) /* Iterate */ for ( i=0; i<n_iter; i++ ) { - STATUS("Post refinement cycle %i of %i\n", i+1, n_iter); + STATUS("Refinement cycle %i of %i\n", i+1, n_iter); srdata.n_filtered = 0; - /* Refine the geometry of all patterns to get the best fit */ + /* Refine all crystals to get the best fit */ refine_all(crystals, n_crystals, full, nthreads, pmodel, &srdata); @@ -681,14 +672,8 @@ int main(int argc, char *argv[]) /* Re-estimate all the full intensities */ reflist_free(full); - if ( noscale ) { - STATUS("Skipping scaling step (--no-scale).\n"); - full = lsq_intensities(crystals, n_crystals, nthreads, - pmodel, min_measurements); - } else { - full = scale_intensities(crystals, n_crystals, nthreads, - pmodel, min_measurements); - } + full = lsq_intensities(crystals, n_crystals, nthreads, + pmodel, min_measurements); check_rejection(crystals, n_crystals); |