mailr17233 - /trunk/generic_fns/dipole_pair.py


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Posted by edward on July 11, 2012 - 18:00:
Author: bugman
Date: Wed Jul 11 18:00:45 2012
New Revision: 17233

URL: http://svn.gna.org/viewcvs/relax?rev=17233&view=rev
Log:
Fixes for the dipole_pair.read_dist user function.


Modified:
    trunk/generic_fns/dipole_pair.py

Modified: trunk/generic_fns/dipole_pair.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/dipole_pair.py?rev=17233&r1=17232&r2=17233&view=diff
==============================================================================
--- trunk/generic_fns/dipole_pair.py (original)
+++ trunk/generic_fns/dipole_pair.py Wed Jul 11 18:00:45 2012
@@ -31,11 +31,11 @@
 # relax module imports.
 from arg_check import is_float
 from generic_fns.interatomic import create_interatom, exists_data, 
interatomic_loop, return_interatom
-from generic_fns.mol_res_spin import Selection, return_spin, spin_loop
+from generic_fns.mol_res_spin import Selection, exists_mol_res_spin_data, 
return_spin, spin_loop
 from generic_fns import pipes
 from relax_errors import RelaxError, RelaxNoInteratomError
 from relax_io import extract_data, write_data
-from relax_warnings import RelaxZeroVectorWarning
+from relax_warnings import RelaxWarning, RelaxZeroVectorWarning
 
 
 def define(spin_id1=None, spin_id2=None, pipe=None, direct_bond=False, 
verbose=True):
@@ -197,6 +197,10 @@
 
         # Get the interatomic data container.
         interatom = return_interatom(spin_id1, spin_id2)
+
+        # No container found.
+        if interatom == None:
+            raise RelaxNoInteratomError(spin_id1=spin_id1, spin_id2=spin_id2)
 
         # Store the averaged distance.
         interatom.r = ave_dist




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