diff options
| author | Thomas White <taw@physics.org> | 2014-03-05 13:56:01 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2014-03-05 13:56:01 +0100 |
| commit | 4ce94e129805d131441e3cfc0e78b6ef36439cef (patch) | |
| tree | 17f184f14b4580043b03546e0f76c753bafb08ef /src/ambigator.c | |
| parent | bd889c3bb7653880068498d8386a81c65045167f (diff) | |
Print warning if any crystals have no correlations at all
Diffstat (limited to 'src/ambigator.c')
| -rw-r--r-- | src/ambigator.c | 10 |
1 files changed, 10 insertions, 0 deletions
diff --git a/src/ambigator.c b/src/ambigator.c index d60c484b..e685066d 100644 --- a/src/ambigator.c +++ b/src/ambigator.c @@ -231,6 +231,7 @@ static void detwin(struct flist **crystals, int n_crystals, SymOpList *amb, int nch = 0; float mf = 0.0; int nmf = 0; + int ndud = 0; for ( i=0; i<n_crystals; i++ ) { @@ -263,6 +264,11 @@ static void detwin(struct flist **crystals, int n_crystals, SymOpList *amb, } + if ( (p==0) || (q==0) ) { + ndud++; + continue; + } + f /= p; g /= q; if ( (p==0) || (q==0) ) continue; @@ -277,6 +283,10 @@ static void detwin(struct flist **crystals, int n_crystals, SymOpList *amb, } + if ( ndud > 0 ) { + STATUS("Warning: %i crystals had no correlation\n", ndud); + } + STATUS("Mean f = %f, changed %i assignments this time.\n", mf/nmf, nch); } |