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.
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