r15353 - /branches/frame_order_testing/maths_fns/frame_order.py -- February 21, 2012 - 18:13

Author: bugman
Date: Tue Feb 21 18:13:34 2012
New Revision: 15353

URL: http://svn.gna.org/viewcvs/relax?rev=15353&view=rev
Log:
Bug fix for the conversion of the Sobol' sequence data to the SO(2) and SO(3) 
spaces.

The tilt-torsion angles had been accidentally swapped.


Modified:
    branches/frame_order_testing/maths_fns/frame_order.py

Modified: branches/frame_order_testing/maths_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order.py?rev=15353&r1=15352&r2=15353&view=diff
==============================================================================
--- branches/frame_order_testing/maths_fns/frame_order.py (original)
+++ branches/frame_order_testing/maths_fns/frame_order.py Tue Feb 21 18:13:34 
2012
@@ -1741,10 +1741,15 @@
 
             # Loop over the dimensions, converting the points to angles.
             for j in range(m):
+                # The tilt angle - the angle of rotation about the x-y plane 
rotation axis.
                 if dims[j] in ['theta']:
+                    self.sobol_angles[i, j] = acos(2.0*point[j] - 1.0)
+
+                # The angle defining the x-y plane rotation axis.
+                if dims[j] in ['phi']:
                     self.sobol_angles[i, j] = 2.0 * pi * point[j]
-                if dims[j] in ['phi']:
-                    self.sobol_angles[i, j] = acos(2.0*point[j] - 1.0)
+
+                # The torsion angle - the angle of rotation about the z' 
axis.
                 if dims[j] in ['sigma']:
                     self.sobol_angles[i, j] = 2.0 * pi * (point[j] - 0.5)