mailr8794 - /1.3/specific_fns/n_state_model.py


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Posted by edward on February 12, 2009 - 14:39:
Author: bugman
Date: Thu Feb 12 14:39:23 2009
New Revision: 8794

URL: http://svn.gna.org/viewcvs/relax?rev=8794&view=rev
Log:
Bug fix for the N-state model optimisation.

In __minimise_setup_rdcs(), the XH bond vector structure was being 
incorrectly set up if the spin
container xh_vect object is a single 3D vector.


Modified:
    1.3/specific_fns/n_state_model.py

Modified: 1.3/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/n_state_model.py?rev=8794&r1=8793&r2=8794&view=diff
==============================================================================
--- 1.3/specific_fns/n_state_model.py (original)
+++ 1.3/specific_fns/n_state_model.py Thu Feb 12 14:39:23 2009
@@ -623,7 +623,10 @@
 
             # Append the RDC and XH vectors to the lists.
             rdcs.append(spin.rdc)
-            xh_vectors.append(spin.xh_vect)
+            if type(spin.xh_vect[0]) == float:
+                xh_vectors.append([spin.xh_vect])
+            else:
+                xh_vectors.append(spin.xh_vect)
 
             # Append the PCS errors (or a list of None).
             if hasattr(spin, 'rdc_err'):




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