mailr25843 - /branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py


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Posted by edward on September 14, 2014 - 16:03:
Author: bugman
Date: Sun Sep 14 16:03:44 2014
New Revision: 25843

URL: http://svn.gna.org/viewcvs/relax?rev=25843&view=rev
Log:
More fixed for the frame order count_sobol_points() function.

The torsion angle for the torsionless models is no longer accessed, and the 
cone_theta parameter is
only accessed for models with this parameter.


Modified:
    branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py

Modified: 
branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py?rev=25843&r1=25842&r2=25843&view=diff
==============================================================================
--- 
branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py  
(original)
+++ 
branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py  
Sun Sep 14 16:03:44 2014
@@ -118,13 +118,13 @@
     # The torsion angle.
     if cdp.model in MODEL_LIST_FREE_ROTORS:
         cone_sigma_max = pi
-    else:
+    elif 'sigma' in dims:
         cone_sigma_max = cdp.cone_sigma_max
 
     # The isotropic cone angle.
     if cdp.model == MODEL_ISO_CONE_FREE_ROTOR:
         cone_theta = order_parameters.iso_cone_S_to_theta(cdp.cone_s1)
-    else:
+    elif not pe and 'theta' in dims:
         cone_theta = cdp.cone_theta
 
     # Loop over the Sobol' points to count them.




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