r26333 - /trunk/specific_analyses/n_state_model/optimisation.py -- October 22, 2014 - 09:27

Author: bugman
Date: Wed Oct 22 09:27:01 2014
New Revision: 26333

URL: http://svn.gna.org/viewcvs/relax?rev=26333&view=rev
Log:
Final fix for bug #22849 (https://gna.org/bugs/?22849).

This is the failure of the N-state model analysis when optimising only 
alignment tensors using RDCs
and/or PCSs.  The alignment tensor is no longer initialised to zero values.  
This is to allow the
skip_preset argument for the minimise.grid_search user function to be 
operational for the N-state
model, a feature introduced with the zooming grid search.  The solution was 
to check for the
uninitialised tensor in the minimise_setup_fixed_tensors() method of the
specific_analyses.n_state_model.optimisation module.


Modified:
    trunk/specific_analyses/n_state_model/optimisation.py

Modified: trunk/specific_analyses/n_state_model/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/n_state_model/optimisation.py?rev=26333&r1=26332&r2=26333&view=diff
==============================================================================
--- trunk/specific_analyses/n_state_model/optimisation.py       (original)
+++ trunk/specific_analyses/n_state_model/optimisation.py       Wed Oct 22 
09:27:01 2014
@@ -251,6 +251,10 @@
         if not opt_uses_align_data(cdp.align_tensors[i].name):
             continue
 
+        # No parameters have been set.
+        if not hasattr(cdp.align_tensors[i], 'Axx'):
+            continue
+
         # The real tensors.
         tensors[5*index + 0] = cdp.align_tensors[i].Axx
         tensors[5*index + 1] = cdp.align_tensors[i].Ayy