r16865 - in /branches/interatomic: data/interatomic.py generic_fns/interatomic.py -- June 11, 2012 - 21:03

Author: bugman
Date: Mon Jun 11 21:03:50 2012
New Revision: 16865

URL: http://svn.gna.org/viewcvs/relax?rev=16865&view=rev
Log:
Shifted some code from InteratomList.add_item() to 
generic_fns.interatomic.create_interatom().

This is to break a circular import problem.


Modified:
    branches/interatomic/data/interatomic.py
    branches/interatomic/generic_fns/interatomic.py

Modified: branches/interatomic/data/interatomic.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/data/interatomic.py?rev=16865&r1=16864&r2=16865&view=diff
==============================================================================
--- branches/interatomic/data/interatomic.py (original)
+++ branches/interatomic/data/interatomic.py Mon Jun 11 21:03:50 2012
@@ -28,10 +28,8 @@
 
 # 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
 
@@ -138,14 +136,6 @@
         @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)):

Modified: branches/interatomic/generic_fns/interatomic.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/generic_fns/interatomic.py?rev=16865&r1=16864&r2=16865&view=diff
==============================================================================
--- branches/interatomic/generic_fns/interatomic.py (original)
+++ branches/interatomic/generic_fns/interatomic.py Mon Jun 11 21:03:50 2012
@@ -25,6 +25,8 @@
 
 # relax module imports.
 from generic_fns import pipes
+from generic_fns.mol_res_spin import return_spin
+from relax_warnings import RelaxNoSpinWarning
 
 
 def create_interatom(spin_id1=None, spin_id2=None):
@@ -37,6 +39,14 @@
     @return:            The newly created interatomic data container.
     @rtype:             data.interatomic.InteratomContainer instance
     """
+
+    # 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)
 
     # Add the data.
     cdp.interatomic.add_item(spin_id1=spin_id1, spin_id2=spin_id2)