diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/merge.c | 4 | ||||
| -rw-r--r-- | src/merge.h | 3 | ||||
| -rw-r--r-- | src/partialator.c | 14 | ||||
| -rw-r--r-- | src/scaling.c | 5 | ||||
| -rw-r--r-- | src/scaling.h | 3 |
5 files changed, 12 insertions, 17 deletions
diff --git a/src/merge.c b/src/merge.c index 670f81c6..e60aca15 100644 --- a/src/merge.c +++ b/src/merge.c @@ -59,7 +59,6 @@ struct merge_queue_args pthread_rwlock_t full_lock; Crystal **crystals; int n_started; - PartialityModel pmodel; double push_res; int use_weak; long long int n_reflections; @@ -228,7 +227,7 @@ static void finalise_merge_job(void *vqargs, void *vwargs) RefList *merge_intensities(Crystal **crystals, int n, int n_threads, - PartialityModel pmodel, int min_meas, + int min_meas, double push_res, int use_weak) { RefList *full; @@ -244,7 +243,6 @@ RefList *merge_intensities(Crystal **crystals, int n, int n_threads, qargs.full = full; qargs.n_started = 0; qargs.crystals = crystals; - qargs.pmodel = pmodel; qargs.push_res = push_res; qargs.use_weak = use_weak; qargs.n_reflections = 0; diff --git a/src/merge.h b/src/merge.h index 1911584f..56229e4c 100644 --- a/src/merge.h +++ b/src/merge.h @@ -40,7 +40,6 @@ #include "geometry.h" extern RefList *merge_intensities(Crystal **crystals, int n, int n_threads, - PartialityModel pmodel, int min_meas, - double push_res, int use_weak); + int min_meas, double push_res, int use_weak); #endif /* MERGE */ diff --git a/src/partialator.c b/src/partialator.c index 0142a628..5fbccd6a 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -191,7 +191,7 @@ static void write_split(Crystal **crystals, int n_crystals, const char *outfile, } snprintf(tmp, 1024, "%s1", outfile); split = merge_intensities(crystals1, n_crystals1, nthreads, - pmodel, min_measurements, push_res, 1); + min_measurements, push_res, 1); if ( split == NULL ) { ERROR("Not enough crystals for two way split!\n"); @@ -203,7 +203,7 @@ static void write_split(Crystal **crystals, int n_crystals, const char *outfile, reflist_free(split); snprintf(tmp, 1024, "%s2", outfile); split = merge_intensities(crystals2, n_crystals2, nthreads, - pmodel, min_measurements, push_res, 1); + min_measurements, push_res, 1); STATUS("and %s\n", tmp); write_reflist_2(tmp, split, sym); reflist_free(split); @@ -290,7 +290,7 @@ static void write_custom_split(struct custom_split *csplit, int dsn, STATUS("Writing dataset '%s' to %s (%i crystals)\n", csplit->dataset_names[dsn], tmp, n_crystalsn); split = merge_intensities(crystalsn, n_crystalsn, nthreads, - pmodel, min_measurements, push_res, 1); + min_measurements, push_res, 1); write_reflist_2(tmp, split, sym); reflist_free(split); @@ -1325,7 +1325,7 @@ int main(int argc, char *argv[]) /* Create reference data set if we don't already have one */ if ( reference == NULL ) { - full = merge_intensities(crystals, n_crystals, nthreads, pmodel, + full = merge_intensities(crystals, n_crystals, nthreads, min_measurements, push_res, 1); } else { full = reference; @@ -1361,7 +1361,7 @@ int main(int argc, char *argv[]) if ( reference == NULL ) { reflist_free(full); full = merge_intensities(crystals, n_crystals, nthreads, - pmodel, min_measurements, + min_measurements, push_res, 1); } /* else full still equals reference */ @@ -1405,12 +1405,12 @@ int main(int argc, char *argv[]) if ( reference == NULL ) { reflist_free(full); full = merge_intensities(crystals, n_crystals, nthreads, - pmodel, min_measurements, + min_measurements, push_res, 1); } else { scale_all_to_reference(crystals, n_crystals, reference, nthreads); full = merge_intensities(crystals, n_crystals, nthreads, - pmodel, min_measurements, push_res, 1); + min_measurements, push_res, 1); } /* Write final figures of merit (no rejection any more) */ diff --git a/src/scaling.c b/src/scaling.c index 0ad50634..f4c93c66 100644 --- a/src/scaling.c +++ b/src/scaling.c @@ -389,8 +389,7 @@ static double total_log_r(Crystal **crystals, int n_crystals, RefList *full, /* Perform iterative scaling, all the way to convergence */ -void scale_all(Crystal **crystals, int n_crystals, int nthreads, - PartialityModel pmodel) +void scale_all(Crystal **crystals, int n_crystals, int nthreads) { struct scale_args task_defaults; struct queue_args qargs; @@ -413,7 +412,7 @@ void scale_all(Crystal **crystals, int n_crystals, int nthreads, double bef_res; full = merge_intensities(crystals, n_crystals, nthreads, - pmodel, 2, INFINITY, 0); + 2, INFINITY, 0); old_res = new_res; bef_res = total_log_r(crystals, n_crystals, full, NULL); diff --git a/src/scaling.h b/src/scaling.h index 620518ef..514bee03 100644 --- a/src/scaling.h +++ b/src/scaling.h @@ -44,8 +44,7 @@ extern double log_residual(Crystal *cr, const RefList *full, int free, extern int linear_scale(const RefList *list1, const RefList *list2, double *G, int complain_loudly); -extern void scale_all(Crystal **crystals, int n_crystals, int nthreads, - PartialityModel pmodel); +extern void scale_all(Crystal **crystals, int n_crystals, int nthreads); extern void scale_all_to_reference(Crystal **crystals, int n_crystals, RefList *reference, int nthreads); |