diff options
Diffstat (limited to 'src/partialator.c')
| -rw-r--r-- | src/partialator.c | 17 |
1 files changed, 12 insertions, 5 deletions
diff --git a/src/partialator.c b/src/partialator.c index 079e078e..bdacd62b 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -79,6 +79,7 @@ static void show_help(const char *s) " -r, --reference=<file> Refine images against reflections in <file>,\n" " instead of taking the mean of the intensity\n" " estimates.\n" +" -m, --model=<model> Specify partiality model.\n" "\n" " -j <n> Run <n> analyses in parallel.\n"); } @@ -140,13 +141,18 @@ static void done_image(void *vqargs, void *task) static void refine_all(Crystal **crystals, int n_crystals, struct detector *det, - RefList *full, int nthreads) + RefList *full, int nthreads, PartialityModel pmodel) { 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; qargs.task_defaults = task_defaults; qargs.n_started = 0; @@ -329,7 +335,8 @@ int main(int argc, char *argv[]) {"iterations", 1, NULL, 'n'}, {"no-scale", 0, &noscale, 1}, {"reference", 1, NULL, 'r'}, - {"partiality", 1, NULL, 'm'}, + {"model", 1, NULL, 'm'}, + {0, 0, NULL, 0} }; @@ -574,7 +581,7 @@ int main(int argc, char *argv[]) STATUS("\nPerforming initial scaling.\n"); if ( noscale ) STATUS("Scale factors fixed at 1.\n"); full = scale_intensities(crystals, n_crystals, reference, - nthreads, noscale); + nthreads, noscale, pmodel); sr = sr_titlepage(crystals, n_crystals, "scaling-report.pdf", infile, cmdline); @@ -597,7 +604,7 @@ int main(int argc, char *argv[]) /* Refine the geometry of all patterns to get the best fit */ select_reflections_for_refinement(crystals, n_crystals, comp, have_reference); - refine_all(crystals, n_crystals, det, comp, nthreads); + refine_all(crystals, n_crystals, det, comp, nthreads, pmodel); nobs = 0; for ( j=0; j<n_crystals; j++ ) { @@ -612,7 +619,7 @@ int main(int argc, char *argv[]) /* Re-estimate all the full intensities */ reflist_free(full); full = scale_intensities(crystals, n_crystals, - reference, nthreads, noscale); + reference, nthreads, noscale, pmodel); sr_iteration(sr, i+1, crystals, n_crystals, full); |