mailr16862 - /branches/interatomic/data/interatomic.py


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Posted by edward on June 11, 2012 - 20:56:
Author: bugman
Date: Mon Jun 11 20:56:57 2012
New Revision: 16862

URL: http://svn.gna.org/viewcvs/relax?rev=16862&view=rev
Log:
Added checks to the InteratomList.add_item() method to make sure that the 
spin IDs already exist.


Modified:
    branches/interatomic/data/interatomic.py

Modified: branches/interatomic/data/interatomic.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/data/interatomic.py?rev=16862&r1=16861&r2=16862&view=diff
==============================================================================
--- branches/interatomic/data/interatomic.py (original)
+++ branches/interatomic/data/interatomic.py Mon Jun 11 20:56:57 2012
@@ -28,8 +28,10 @@
 
 # relax module imports.
 import generic_fns
+from generic_fns.mol_res_spin import return_spin
 from prototype import Prototype
 from relax_errors import RelaxError, RelaxFromXMLNotEmptyError, 
RelaxImplementError
+from relax_warnings import RelaxNoSpinWarning
 from relax_xml import fill_object_contents, object_to_xml, xml_to_object
 import specific_fns
 
@@ -136,6 +138,14 @@
         @keyword spin_id2:  The spin ID string of the first atom.
         @type spin_id2:     str
         """
+
+        # Check that the spin IDs exist.
+        spin = return_spin(spin_id1)
+        if spin == None:
+            raise RelaxNoSpinWarning(spin_id1)
+        spin = return_spin(spin_id2)
+        if spin == None:
+            raise RelaxNoSpinWarning(spin_id2)
 
         # Check if the two spin ID have already been added.
         for i in range(len(self)):




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