r18044 - /trunk/specific_fns/n_state_model.py -- November 30, 2012 - 10:58

Author: bugman
Date: Fri Nov 30 10:58:01 2012
New Revision: 18044

URL: http://svn.gna.org/viewcvs/relax?rev=18044&view=rev
Log:
Bug fix for the use of pseudo-atoms for RDCs in the N-state model analysis.

If the second atom of the pair in the intermolecular data container holding 
the RDC data was a
pseudo-atom, then the N-state model optimisation setup would fail.  Now both 
the first and second
atoms being pseudo-atoms is supported.


Modified:
    trunk/specific_fns/n_state_model.py

Modified: trunk/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_fns/n_state_model.py?rev=18044&r1=18043&r2=18044&view=diff
==============================================================================
--- trunk/specific_fns/n_state_model.py (original)
+++ trunk/specific_fns/n_state_model.py Fri Nov 30 10:58:01 2012
@@ -1092,7 +1092,7 @@
                 # Pseudo-atom set up.
                 if (hasattr(spin1, 'members') or hasattr(spin2, 'members')) 
and align_id in interatom.rdc.keys():
                     # Skip non-Me groups.
-                    if len(spin1.members) != 3:
+                    if (hasattr(spin1, 'members') and len(spin1.members) != 
3) or (hasattr(spin2, 'members') and len(spin2.members) != 3):
                         continue
 
                     # The RDC for the Me-pseudo spin where: