r17085 - /branches/interatomic/specific_fns/n_state_model.py -- June 28, 2012 - 11:32

Author: bugman
Date: Thu Jun 28 11:32:14 2012
New Revision: 17085

URL: http://svn.gna.org/viewcvs/relax?rev=17085&view=rev
Log:
Interatomic data design fix for the N-state model analysis 
_minimise_bc_data() method.


Modified:
    branches/interatomic/specific_fns/n_state_model.py

Modified: branches/interatomic/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/specific_fns/n_state_model.py?rev=17085&r1=17084&r2=17085&view=diff
==============================================================================
--- branches/interatomic/specific_fns/n_state_model.py (original)
+++ branches/interatomic/specific_fns/n_state_model.py Thu Jun 28 11:32:14 
2012
@@ -833,6 +833,14 @@
             # Interatomic data container loop.
             rdc_index = 0
             for interatom in interatomic_loop():
+                # Get the spins.
+                spin1 = return_spin(interatom.spin_id1)
+                spin2 = return_spin(interatom.spin_id2)
+
+                # RDC checks.
+                if not self._check_rdcs(interatom, spin1, spin2):
+                    continue
+
                 # Containers with RDC data.
                 if rdc_flag and hasattr(interatom, 'rdc'):
                     # Initialise the data structure if necessary.