r18254 - /trunk/specific_fns/n_state_model.py -- January 21, 2013 - 22:37

Author: bugman
Date: Mon Jan 21 22:37:54 2013
New Revision: 18254

URL: http://svn.gna.org/viewcvs/relax?rev=18254&view=rev
Log:
Fix for the Monte Carlo initialisation of the paramagnetic centre position in 
the N-state model.

The simulation positions are now initialised to the optimised position.


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=18254&r1=18253&r2=18254&view=diff
==============================================================================
--- trunk/specific_fns/n_state_model.py (original)
+++ trunk/specific_fns/n_state_model.py Mon Jan 21 22:37:54 2013
@@ -2507,6 +2507,11 @@
                     # Append None to fill the structure.
                     sim_object.append(None)
 
+            # Set the simulation paramagnetic centre positions to the 
optimised values.
+            if hasattr(cdp, 'paramag_centre_fixed') and not 
cdp.paramag_centre_fixed:
+                for j in range(cdp.sim_number):
+                    cdp.paramagnetic_centre_sim[j] = 
deepcopy(cdp.paramagnetic_centre)
+
 
     def sim_pack_data(self, data_id, sim_data):
         """Pack the Monte Carlo simulation data.