r27785 - /trunk/pipe_control/interatomic.py -- March 05, 2015 - 15:17

Author: bugman
Date: Thu Mar  5 15:17:51 2015
New Revision: 27785

URL: http://svn.gna.org/viewcvs/relax?rev=27785&view=rev
Log:
Added a new warning to the interatom.unit_vectors user function if data is 
missing.

This is to aid in detecting problems earlier before unit vectors of None are 
encountered by other
parts of relax.


Modified:
    trunk/pipe_control/interatomic.py

Modified: trunk/pipe_control/interatomic.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/interatomic.py?rev=27785&r1=27784&r2=27785&view=diff
==============================================================================
--- trunk/pipe_control/interatomic.py   (original)
+++ trunk/pipe_control/interatomic.py   Thu Mar  5 15:17:51 2015
@@ -759,6 +759,7 @@
             for i in range(len(spin1.pos)):
                 # No structural information.
                 if spin1.pos[i] == None or spin2.pos[i] == None:
+                    warn(RelaxWarning("No structural information for state 
%i can be found between spins '%s' and '%s'." % (i, interatom.spin_id1, 
interatom.spin_id2)))
                     vector_list.append(None)
 
                 # All data is present.