mailr12520 - /1.3/specific_fns/n_state_model.py


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Posted by edward on February 09, 2011 - 13:23:
Author: bugman
Date: Wed Feb  9 13:23:19 2011
New Revision: 12520

URL: http://svn.gna.org/viewcvs/relax?rev=12520&view=rev
Log:
The optimisation of Monte Carlo simulations no longer changes the Q factors 
and back calculated data.

There was a bug in which the back calculated RDCs and PCSs, as well as the Q 
factors were being
calculated for each Monte Carlo simulation but stored in the non-MC sim data 
structures.  Therefore
after MC sims, the Q factor and back calculated data would be that of the 
last simulation!!!


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=12520&r1=12519&r2=12520&view=diff
==============================================================================
--- 1.3/specific_fns/n_state_model.py (original)
+++ 1.3/specific_fns/n_state_model.py Wed Feb  9 13:23:19 2011
@@ -2102,7 +2102,7 @@
             cdp.warning = warning
 
         # Statistical analysis.
-        if ('rdc' in data_types or 'pcs' in data_types):
+        if sim_index == None and ('rdc' in data_types or 'pcs' in 
data_types):
             # Get the final back calculated data (for the Q-factor and
             self._minimise_bc_data(model)
 




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