diff options
author | Thomas White <taw@physics.org> | 2014-03-05 16:29:41 +0100 |
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committer | Thomas White <taw@physics.org> | 2014-03-05 16:30:21 +0100 |
commit | 533c8aad7b256cceeb1ae9cae346ce00827cc3b1 (patch) | |
tree | 5ecbe67f2f66be662e12aa21f3687e82b7e58e2e /src/ambigator.c | |
parent | fba54b335b3c9dcdbf31d7ae92b6ed307b2efd21 (diff) |
Add --end-assignments
Diffstat (limited to 'src/ambigator.c')
-rw-r--r-- | src/ambigator.c | 18 |
1 files changed, 18 insertions, 0 deletions
diff --git a/src/ambigator.c b/src/ambigator.c index bd85ea8e..7aa9a2ae 100644 --- a/src/ambigator.c +++ b/src/ambigator.c @@ -363,6 +363,7 @@ int main(int argc, char *argv[]) int c; const char *infile; char *outfile = NULL; + char *end_ass_fn = NULL; char *s_sym_str = NULL; SymOpList *s_sym; char *w_sym_str = NULL; @@ -390,6 +391,7 @@ int main(int argc, char *argv[]) {"highres", 1, NULL, 2}, {"lowres", 1, NULL, 3}, + {"end-assignments", 1, NULL, 4}, {0, 0, NULL, 0} }; @@ -437,6 +439,10 @@ int main(int argc, char *argv[]) rmin = 1.0 / (lowres/1e10); break; + case 4 : + end_ass_fn = strdup(optarg); + break; + case 0 : break; @@ -574,6 +580,18 @@ int main(int argc, char *argv[]) detwin(crystals, n_crystals, assignments, amb); } + if ( end_ass_fn != NULL ) { + FILE *fh = fopen(end_ass_fn, "w"); + if ( fh == NULL ) { + ERROR("Failed to open '%s'\n", end_ass_fn); + } else { + for ( i=0; i<n_crystals; i++ ) { + fprintf(fh, "%i\n", assignments[i]); + } + } + fclose(fh); + } + n_dif = 0; for ( i=0; i<n_crystals; i++ ) { if ( orig_assignments[i] != assignments[i] ) n_dif++; |