r23971 - /branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py -- June 16, 2014 - 11:07

Author: bugman
Date: Mon Jun 16 11:07:44 2014
New Revision: 23971

URL: http://svn.gna.org/viewcvs/relax?rev=23971&view=rev
Log:
Attempt at speeding up the torsionless pseudo-ellipse frame order model.

The check if the Sobol' point is outside of an isotropic cone defined by the 
largest angle theta_y
is now performed to avoid many unnecessary calls to the tmax_pseudo_ellipse() 
function.

This however reveals a problem with the test suite data for this model.


Modified:
    branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py

Modified: 
branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py?rev=23971&r1=23970&r2=23971&view=diff
==============================================================================
--- 
branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py  
(original)
+++ 
branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py  
Mon Jun 16 11:07:44 2014
@@ -306,6 +306,10 @@
     # Loop over the samples.
     num = 0
     for i in range(len(points)):
+        # As theta_x <= theta_y, check if theta is outside of the isotropic 
cone defined by theta_y to minimise calculations for speed.
+        if theta[i] > theta_y:
+            continue
+
         # Calculate theta_max.
         theta_max = tmax_pseudo_ellipse(phi[i], theta_x, theta_y)