mailr17042 - /branches/interatomic/generic_fns/dipole_pair.py


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Posted by edward on June 22, 2012 - 18:44:
Author: bugman
Date: Fri Jun 22 18:44:13 2012
New Revision: 17042

URL: http://svn.gna.org/viewcvs/relax?rev=17042&view=rev
Log:
dipole_pair.unit_vectors now raises a RelaxNoInteratomError if not 
interatomic data is present.


Modified:
    branches/interatomic/generic_fns/dipole_pair.py

Modified: branches/interatomic/generic_fns/dipole_pair.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/generic_fns/dipole_pair.py?rev=17042&r1=17041&r2=17042&view=diff
==============================================================================
--- branches/interatomic/generic_fns/dipole_pair.py (original)
+++ branches/interatomic/generic_fns/dipole_pair.py Fri Jun 22 18:44:13 2012
@@ -31,10 +31,10 @@
 
 # relax module imports.
 from arg_check import is_float
-from generic_fns.interatomic import create_interatom, interatomic_loop, 
return_interatom
+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 import pipes
-from relax_errors import RelaxError
+from relax_errors import RelaxError, RelaxNoInteratomError
 from relax_io import extract_data, write_data
 from relax_warnings import RelaxZeroVectorWarning
 
@@ -259,6 +259,10 @@
 
     # Test if the current data pipe exists.
     pipes.test()
+
+    # Test if interatomic data exists.
+    if not exists_data():
+        raise RelaxNoInteratomError
 
     # Print out.
     if ave:




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