r25845 - /branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py -- September 14, 2014 - 17:19

Author: bugman
Date: Sun Sep 14 17:19:59 2014
New Revision: 25845

URL: http://svn.gna.org/viewcvs/relax?rev=25845&view=rev
Log:
Fix for the frame order count_sobol_points() function.

The torsion angle ranges from -pi to pi, so the absolute value needs to be 
checked, just as in the
lib.frame_order modules.


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=25845&r1=25844&r2=25845&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 17:19:59 2014
@@ -139,11 +139,11 @@
             continue
 
         # 1st torsion angle.
-        if 'sigma' in dims and sigma[i] > cone_sigma_max:
+        if 'sigma' in dims and abs(sigma[i]) > cone_sigma_max:
             continue
 
         # 2nd torsion angle.
-        if 'sigma2' in dims and sigma2[i] > cdp.cone_sigma_max_2:
+        if 'sigma2' in dims and abs(sigma2[i]) > cdp.cone_sigma_max_2:
             continue
 
         # Increment the point count.