mailr10941 - /1.3/generic_fns/diffusion_tensor.py


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Posted by edward on February 25, 2010 - 15:15:
Author: bugman
Date: Thu Feb 25 15:15:09 2010
New Revision: 10941

URL: http://svn.gna.org/viewcvs/relax?rev=10941&view=rev
Log:
Fix for a bug introduced in the last revision (r10940).

This affects the spherical angles used to define the spheroidal diffusion 
tensor major axis.


Modified:
    1.3/generic_fns/diffusion_tensor.py

Modified: 1.3/generic_fns/diffusion_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/diffusion_tensor.py?rev=10941&r1=10940&r2=10941&view=diff
==============================================================================
--- 1.3/generic_fns/diffusion_tensor.py (original)
+++ 1.3/generic_fns/diffusion_tensor.py Thu Feb 25 15:15:09 2010
@@ -411,12 +411,12 @@
 
         # Normal value.
         if sim_index == None:
-            cdp.diff_tensor.theta = wrap_angles(theta, 0.0, pi)
+            cdp.diff_tensor.theta = wrap_angles(theta, 0.0, 2.0*pi)
             cdp.diff_tensor.phi = wrap_angles(phi, 0.0, 2.0*pi)
 
         # Simulated theta and phi values.
         else:
-            cdp.diff_tensor.theta_sim[sim_index] = wrap_angles(theta_sim, 
theta - pi/2.0, theta + pi/2.0)
+            cdp.diff_tensor.theta_sim[sim_index] = wrap_angles(theta_sim, 
theta - pi, theta + pi)
             cdp.diff_tensor.phi_sim[sim_index]   = wrap_angles(phi_sim, phi 
- pi, phi + pi)
 
     # Ellipsoid.




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