r17095 - /branches/interatomic/test_suite/system_tests/scripts/interatomic_tests.py -- June 28, 2012 - 15:08

Author: bugman
Date: Thu Jun 28 15:08:23 2012
New Revision: 17095

URL: http://svn.gna.org/viewcvs/relax?rev=17095&view=rev
Log:
Some fixes for the Interatomic.test_manipulation system test.


Modified:
    branches/interatomic/test_suite/system_tests/scripts/interatomic_tests.py

Modified: 
branches/interatomic/test_suite/system_tests/scripts/interatomic_tests.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/test_suite/system_tests/scripts/interatomic_tests.py?rev=17095&r1=17094&r2=17095&view=diff
==============================================================================
--- branches/interatomic/test_suite/system_tests/scripts/interatomic_tests.py 
(original)
+++ branches/interatomic/test_suite/system_tests/scripts/interatomic_tests.py 
Thu Jun 28 15:08:23 2012
@@ -46,5 +46,7 @@
 self._execute_uf(uf_name='spin.create', spin_name='H', res_name='Gly', 
res_num=1, mol_name='Poly-gly')
 self._execute_uf(uf_name='spin.create', spin_name='N', res_name='Gly', 
res_num=2, mol_name='Poly-gly')
 self._execute_uf(uf_name='spin.create', spin_name='H', res_name='Gly', 
res_num=2, mol_name='Poly-gly')
-self._execute_uf(uf_name='dipole_pair.define', spin_id1='#Poly-gly:N', 
spin_id2='#Poly-gly:H', direct_bond=True)
+self._execute_uf(uf_name='spin.element', spin_id='#Poly-gly@N', element='N')
+self._execute_uf(uf_name='spin.element', spin_id='#Poly-gly@H', element='H')
+self._execute_uf(uf_name='dipole_pair.define', spin_id1='#Poly-gly@N', 
spin_id2='#Poly-gly@H', direct_bond=True)
 self._execute_uf(uf_name='deselect.interatom', spin_id1=':2')