r16987 - /branches/interatomic/specific_fns/model_free/main.py -- June 20, 2012 - 00:40

Author: bugman
Date: Wed Jun 20 00:40:38 2012
New Revision: 16987

URL: http://svn.gna.org/viewcvs/relax?rev=16987&view=rev
Log:
Bug fix for the model-free overfit_deselect() method - again for the 
interatomic design.


Modified:
    branches/interatomic/specific_fns/model_free/main.py

Modified: branches/interatomic/specific_fns/model_free/main.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/specific_fns/model_free/main.py?rev=16987&r1=16986&r2=16987&view=diff
==============================================================================
--- branches/interatomic/specific_fns/model_free/main.py (original)
+++ branches/interatomic/specific_fns/model_free/main.py Wed Jun 20 00:40:38 
2012
@@ -1988,9 +1988,10 @@
                     continue
 
                 # Check the unit vectors.
-                if need_vect and not hasattr(interatoms[i], 'vector') or 
interatoms[i].vector == None:
-                    warn(RelaxDeselectWarning(spin_id, 'missing structural 
data'))
-                    spin.select = False
+                if need_vect:
+                    if not hasattr(interatoms[i], 'vector') or 
interatoms[i].vector == None:
+                        warn(RelaxDeselectWarning(spin_id, 'missing 
structural data'))
+                        spin.select = False
 
 
     return_data_name_doc = Desc_container("Model-free data type string 
matching patterns")