r7952 - /1.3/specific_fns/model_free/main.py -- October 23, 2008 - 17:39

Author: bugman
Date: Thu Oct 23 17:39:25 2008
New Revision: 7952

URL: http://svn.gna.org/viewcvs/relax?rev=7952&view=rev
Log:
Fix for bug #12487 (https://gna.org/bugs/index.php?12487).

This bug was reported by Tyler Reddy (TREDDY at dal dot ca).

The problem was that missing XH bond vector data was being manifested as the 
spin.xh_vect object
being set to None.  The overfit_deselect() function which is responsible for 
deselecting unsuitable
spins prior to optimisation was only checking if the object existed, not if 
it was None!


Modified:
    1.3/specific_fns/model_free/main.py

Modified: 1.3/specific_fns/model_free/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/main.py?rev=7952&r1=7951&r2=7952&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/main.py (original)
+++ 1.3/specific_fns/model_free/main.py Thu Oct 23 17:39:25 2008
@@ -1969,6 +1969,8 @@
 
             # Test for structural data if required.
             elif need_vect and not hasattr(spin, 'xh_vect'):
+                spin.select = False
+            elif need_vect and spin.xh_vect == None:
                 spin.select = False