r8979 - /1.3/data/diff_tensor.py -- March 16, 2009 - 19:52

Author: semor
Date: Mon Mar 16 19:52:15 2009
New Revision: 8979

URL: http://svn.gna.org/viewcvs/relax?rev=8979&view=rev
Log:
Fix for bug 13032: Bug in structure.create diff tensor pdb

The Dz unit  in dependency_generator() were erroneous, inputing 'alpha' and 
'beta' instead of 'beta' and 'gamma'.

This had the effect of creating a weird shaped ellipsoid diffusion tensor 
representation when 'alpha' and 'beta' were set to unequal values.

This is now fixed, yielding properly shaped diffusion tensor representations 
for any angles 'alpha', beta' and 'gamma'.


Modified:
    1.3/data/diff_tensor.py

Modified: 1.3/data/diff_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/data/diff_tensor.py?rev=8979&r1=8978&r2=8979&view=diff
==============================================================================
--- 1.3/data/diff_tensor.py (original)
+++ 1.3/data/diff_tensor.py Mon Mar 16 19:52:15 2009
@@ -541,7 +541,7 @@
         yield ('Dz',            ['tm', 'Da'],                                
   ['Diso', 'Da'])
         yield ('Dx_unit',       ['alpha', 'beta', 'gamma'],                  
   ['alpha', 'beta', 'gamma'])
         yield ('Dy_unit',       ['alpha', 'beta', 'gamma'],                  
   ['alpha', 'beta', 'gamma'])
-        yield ('Dz_unit',       ['alpha', 'beta'],                           
   ['alpha', 'beta'])
+        yield ('Dz_unit',       ['beta', 'gamma'],                           
   ['beta', 'gamma'])
         yield ('tensor_diag',   ['tm', 'Da', 'Dr'],                          
   ['type', 'Dx', 'Dy', 'Dz'])
         yield ('rotation',      ['alpha', 'beta', 'gamma'],                  
   ['type', 'Dx_unit', 'Dy_unit', 'Dz_unit'])
         yield ('tensor',        ['tm', 'Da', 'Dr', 'alpha', 'beta', 
'gamma'],   ['rotation', 'tensor_diag'])