diff options
| author | Thomas White <taw@physics.org> | 2015-05-13 16:08:08 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-05-19 13:57:51 +0200 |
| commit | 646a9bd940d2ddbded0681c3f0b95226e1d03023 (patch) | |
| tree | c72aedbedf95f40aff3cdd275c6fd38823412573 | |
| parent | feaae5a2c165218fedf41cbed27c0a3ff7ef8685 (diff) | |
partialator: Honour --no-scale
| -rw-r--r-- | src/partialator.c | 9 | ||||
| -rw-r--r-- | src/post-refinement.c | 2 |
2 files changed, 7 insertions, 4 deletions
diff --git a/src/partialator.c b/src/partialator.c index 19449590..00d1865b 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -145,7 +145,7 @@ static void done_image(void *vqargs, void *task) static void refine_all(Crystal **crystals, int n_crystals, RefList *full, int nthreads, PartialityModel pmodel, - struct srdata *srdata) + int no_scale, struct srdata *srdata) { struct refine_args task_defaults; struct queue_args qargs; @@ -155,6 +155,7 @@ static void refine_all(Crystal **crystals, int n_crystals, task_defaults.pmodel = pmodel; task_defaults.prdata.refined = 0; task_defaults.prdata.n_filtered = 0; + task_defaults.no_scale = no_scale; qargs.task_defaults = task_defaults; qargs.n_started = 0; @@ -353,7 +354,7 @@ int main(int argc, char *argv[]) int n_crystals = 0; char cmdline[1024]; SRContext *sr; - int noscale = 0; + int no_scale = 0; Stream *st; Crystal **crystals; char *pmodel_str = NULL; @@ -382,7 +383,7 @@ int main(int argc, char *argv[]) {"max-adu", 1, NULL, 3}, {"start-params", 1, NULL, 4}, - {"no-scale", 0, &noscale, 1}, + {"no-scale", 0, &no_scale, 1}, {"no-polarisation", 0, &polarisation, 0}, {"no-polarization", 0, &polarisation, 0}, {"polarisation", 0, &polarisation, 1}, /* compat */ @@ -665,7 +666,7 @@ int main(int argc, char *argv[]) /* Refine all crystals to get the best fit */ refine_all(crystals, n_crystals, full, nthreads, pmodel, - &srdata); + no_scale, &srdata); show_duds(crystals, n_crystals); check_rejection(crystals, n_crystals); diff --git a/src/post-refinement.c b/src/post-refinement.c index 09a8b77a..bbab8b7f 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -364,6 +364,8 @@ static double pr_iterate(Crystal *cr, const RefList *full, rv[num_params++] = GPARAM_BFAC; } + if ( num_params == 0 ) return 0.0; + reflections = crystal_get_reflections(cr); M = gsl_matrix_calloc(num_params, num_params); |