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.
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