diff options
| -rw-r--r-- | src/partialator.c | 27 |
1 files changed, 23 insertions, 4 deletions
diff --git a/src/partialator.c b/src/partialator.c index 2ed1749d..49605bf9 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -846,6 +846,8 @@ int main(int argc, char *argv[]) char *csplit_fn = NULL; struct custom_split *csplit = NULL; double max_B = 1e-18; + char *rfile = NULL; + RefList *reference = NULL; /* Long options */ const struct option longopts[] = { @@ -866,8 +868,9 @@ int main(int argc, char *argv[]) {"push-res", 1, NULL, 5}, {"res-push", 1, NULL, 5}, /* compat */ {"custom-split", 1, NULL, 6}, - {"max-rel-B" , 1, NULL, 7}, - {"max-rel-b" , 1, NULL, 7}, /* compat */ + {"max-rel-B", 1, NULL, 7}, + {"max-rel-b", 1, NULL, 7}, /* compat */ + {"reference", 1, NULL, 8}, /* ssshhh! */ {"no-scale", 0, &no_scale, 1}, {"no-pr", 0, &no_pr, 1}, @@ -993,6 +996,10 @@ int main(int argc, char *argv[]) max_B = max_B * 1e-20; break; + case 8 : + rfile = strdup(optarg); + break; + case 0 : break; @@ -1060,6 +1067,16 @@ int main(int argc, char *argv[]) free(csplit_fn); } + if ( rfile != NULL ) { + RefList *rread; + rread = read_reflections(rfile); + reference = asymmetric_indices(rread, sym); + reflist_free(rread); + ERROR("WARNING: Using an external reference.\n"); + ERROR("WARNING: If you publish a structure based on the result," + " expect to have to retract your paper!\n"); + } + gsl_set_error_handler_off(); rng = gsl_rng_alloc(gsl_rng_mt19937); @@ -1226,8 +1243,10 @@ int main(int argc, char *argv[]) } if ( !no_pr ) { - refine_all(crystals, n_crystals, full, nthreads, - pmodel); + + RefList *r = (reference != NULL) ? reference : full; + refine_all(crystals, n_crystals, r, nthreads, pmodel); + reflist_free(full); full = merge_intensities(crystals, n_crystals, nthreads, pmodel, min_measurements, |