r28138 - /trunk/pipe_control/diffusion_tensor.py -- December 01, 2015 - 10:54

Author: bugman
Date: Tue Dec  1 10:54:17 2015
New Revision: 28138

URL: http://svn.gna.org/viewcvs/relax?rev=28138&view=rev
Log:
Fix for the Mf.test_bug_24131_missing_interaction system test.

This is part of bug #24131 (https://gna.org/bugs/?24131), the BMRB export 
failure with the
SpinContainer object having no s2 value.  The problem was when assembling the 
diffusion tensor data.
The spin_loop() function was being called, as the diffusion tensor is 
reported for all residues.
Therefore the skip_desel=True has been added to match the model-free part.


Modified:
    trunk/pipe_control/diffusion_tensor.py

Modified: trunk/pipe_control/diffusion_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/diffusion_tensor.py?rev=28138&r1=28137&r2=28138&view=diff
==============================================================================
--- trunk/pipe_control/diffusion_tensor.py      (original)
+++ trunk/pipe_control/diffusion_tensor.py      Tue Dec  1 10:54:17 2015
@@ -161,7 +161,7 @@
     attached_element_list = []
 
     # Store the spin specific data in lists for later use.
-    for spin, mol_name, res_num, res_name, spin_id in 
spin_loop(full_info=True, return_id=True):
+    for spin, mol_name, res_num, res_name, spin_id in 
spin_loop(full_info=True, return_id=True, skip_desel=True):
         # Check the data for None (not allowed in BMRB!).
         if res_num == None:
             raise RelaxError("For the BMRB, the residue of spin '%s' must be 
numbered." % spin_id)