r16811 - /branches/uf_redesign/generic_fns/diffusion_tensor.py -- June 10, 2012 - 13:50

Author: bugman
Date: Sun Jun 10 13:50:44 2012
New Revision: 16811

URL: http://svn.gna.org/viewcvs/relax?rev=16811&view=rev
Log:
Improved the robustness of the bmrb.write user function for missing data.

This is in the generic_fns.diffusion_tensor.bmrb_write() function, and is for 
missing atomic
information required for the Tensor_list saveframe.


Modified:
    branches/uf_redesign/generic_fns/diffusion_tensor.py

Modified: branches/uf_redesign/generic_fns/diffusion_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/generic_fns/diffusion_tensor.py?rev=16811&r1=16810&r2=16811&view=diff
==============================================================================
--- branches/uf_redesign/generic_fns/diffusion_tensor.py (original)
+++ branches/uf_redesign/generic_fns/diffusion_tensor.py Sun Jun 10 13:50:44 
2012
@@ -187,10 +187,17 @@
         # The attached atom info.
         if hasattr(spin, 'attached_atom'):
             attached_atom_name_list.append(str(spin.attached_atom))
+        elif hasattr(spin, 'attached_proton'):
+            attached_atom_name_list.append(str(spin.attached_proton))
         else:
-            attached_atom_name_list.append(str(spin.attached_proton))
-        attached_element_list.append(element_from_isotope(spin.proton_type))
-        
attached_isotope_list.append(str(number_from_isotope(spin.proton_type)))
+            attached_atom_name_list.append(None)
+
+        if hasattr(spin, 'proton_type'):
+            
attached_element_list.append(element_from_isotope(spin.proton_type))
+            
attached_isotope_list.append(str(number_from_isotope(spin.proton_type)))
+        else:
+            attached_element_list.append(None)
+            attached_isotope_list.append(None)
 
         # Other info.
         isotope_list.append(int(string.strip(spin.heteronuc_type, 
string.ascii_letters)))