mailr11691 - /branches/bmrb/generic_fns/diffusion_tensor.py


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Posted by edward on November 22, 2010 - 18:17:
Author: bugman
Date: Mon Nov 22 18:17:49 2010
New Revision: 11691

URL: http://svn.gna.org/viewcvs/relax?rev=11691&view=rev
Log:
The spheroid theta and phi angles are now taken from the BMRB input file.


Modified:
    branches/bmrb/generic_fns/diffusion_tensor.py

Modified: branches/bmrb/generic_fns/diffusion_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/diffusion_tensor.py?rev=11691&r1=11690&r2=11691&view=diff
==============================================================================
--- branches/bmrb/generic_fns/diffusion_tensor.py (original)
+++ branches/bmrb/generic_fns/diffusion_tensor.py Mon Nov 22 18:17:49 2010
@@ -132,7 +132,8 @@
     # Spheroid.
     elif data['geometric_shape'] in ['spheroid', 'oblate spheroid', 'prolate 
spheroid']:
         # The spherical angles.
-        r, theta, phi = cartesian_to_spherical(R[:, 2])
+        theta = data['axial_sym_axis_polar_angle'][0]
+        phi = data['axial_sym_axis_azimuthal_angle'][0]
 
         # Set up the tensor.
         spheroid(params=(Dpar, Dper, theta, phi), d_scale=1.0, 
param_types=3, spheroid_type=type)




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