diff options
| author | Thomas White <taw@physics.org> | 2013-07-30 11:50:51 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2013-07-31 17:09:36 +0200 |
| commit | 528c6b2fe54f252965c33b2981c1a989ecb0c002 (patch) | |
| tree | 5f3a25b3e107ee2b58cdcb76cacc3b5b5a240887 /src | |
| parent | b830360b85024eff64837cd077c57423d8eaca28 (diff) | |
Count number of "dud" crystals each iteration, not just at the end
Diffstat (limited to 'src')
| -rw-r--r-- | src/partialator.c | 14 |
1 files changed, 4 insertions, 10 deletions
diff --git a/src/partialator.c b/src/partialator.c index 819be9fe..68c5f08b 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -313,7 +313,6 @@ int main(int argc, char *argv[]) int nobs; char *reference_file = NULL; RefList *reference = NULL; - int n_dud; int have_reference = 0; char cmdline[1024]; SRContext *sr; @@ -605,6 +604,7 @@ int main(int argc, char *argv[]) /* Iterate */ for ( i=0; i<n_iter; i++ ) { + int n_dud = 0; int j; RefList *comp; @@ -623,14 +623,14 @@ int main(int argc, char *argv[]) nobs = 0; for ( j=0; j<n_crystals; j++ ) { - Crystal *cr = crystals[j]; RefList *rf = crystal_get_reflections(cr); - + if ( crystal_get_user_flag(cr) ) n_dud++; nobs += select_scalable_reflections(rf, reference); - } + STATUS("%i crystals could not be refined this cycle.\n", n_dud); + /* Re-estimate all the full intensities */ reflist_free(full); full = scale_intensities(crystals, n_crystals, @@ -643,12 +643,6 @@ int main(int argc, char *argv[]) sr_finish(sr); - n_dud = 0; - for ( i=0; i<n_crystals; i++ ) { - if ( crystal_get_user_flag(crystals[i]) ) n_dud++; - } - STATUS("%i crystals could not be refined on the last cycle.\n", n_dud); - /* Output results */ write_reflist(outfile, full); |