r14956 - /1.3/specific_fns/frame_order.py -- November 02, 2011 - 15:17

Author: bugman
Date: Wed Nov  2 15:17:19 2011
New Revision: 14956

URL: http://svn.gna.org/viewcvs/relax?rev=14956&view=rev
Log:
The frame order torsion angle cone_sigma_max is now forced to be positive.

Optimisation sometimes comes up with the negative of the angle, as both the 
negative and positive
angles give the same result, so now the angle is always unpacked after 
optimisation as the absolute
value.


Modified:
    1.3/specific_fns/frame_order.py

Modified: 1.3/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/frame_order.py?rev=14956&r1=14955&r2=14956&view=diff
==============================================================================
--- 1.3/specific_fns/frame_order.py (original)
+++ 1.3/specific_fns/frame_order.py Wed Nov  2 15:17:19 2011
@@ -736,7 +736,7 @@
             if cone_theta_y != None:
                 cdp.cone_theta_y[sim_index] = cone_theta_y
             if cone_sigma_max != None:
-                cdp.cone_sigma_max[sim_index] = cone_sigma_max
+                cdp.cone_sigma_max[sim_index] = abs(cone_sigma_max)
 
             # Optimisation stats.
             cdp.chi2_sim[sim_index] = func
@@ -779,7 +779,7 @@
             if cone_theta_y != None:
                 cdp.cone_theta_y = cone_theta_y
             if cone_sigma_max != None:
-                cdp.cone_sigma_max = cone_sigma_max
+                cdp.cone_sigma_max = abs(cone_sigma_max)
 
             # Optimisation stats.
             cdp.chi2 = func