r10983 - /1.3/specific_fns/model_free/main.py -- March 12, 2010 - 11:43

Author: bugman
Date: Fri Mar 12 11:43:27 2010
New Revision: 10983

URL: http://svn.gna.org/viewcvs/relax?rev=10983&view=rev
Log:
Bug fix for back_calc_ri()!

The bug was introduced at r10967.  The check for missing data was not 
performing correctly, causing
the Monte Carlo simulations to be stuck in an infinite loop!


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=10983&r1=10982&r2=10983&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/main.py (original)
+++ 1.3/specific_fns/model_free/main.py Fri Mar 12 11:43:27 2010
@@ -449,7 +449,7 @@
         spin, spin_id = return_spin_from_index(global_index=spin_index, 
return_spin_id=True)
 
         # Missing structural data.
-        if hasattr(cdp, 'diff_tensor') and (cdp.diff_tensor.type == 
'spheroid' or cdp.diff_tensor.type == 'ellipsoid') and not hasattr(spin, 
'xh_vect') or not spin.xh_vect:
+        if hasattr(cdp, 'diff_tensor') and (cdp.diff_tensor.type == 
'spheroid' or cdp.diff_tensor.type == 'ellipsoid') and (not hasattr(spin, 
'xh_vect') or not spin.xh_vect):
             warn(RelaxDeselectWarning(spin_id, 'missing structural data'))
             return