r17143 - /branches/interatomic/test_suite/system_tests/scripts/xh_vector_dist.py -- July 02, 2012 - 22:08

Author: bugman
Date: Mon Jul  2 22:08:15 2012
New Revision: 17143

URL: http://svn.gna.org/viewcvs/relax?rev=17143&view=rev
Log:
Updated the xh_vector_dist.py system test script to the interatomic data 
design.


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

Modified: 
branches/interatomic/test_suite/system_tests/scripts/xh_vector_dist.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/test_suite/system_tests/scripts/xh_vector_dist.py?rev=17143&r1=17142&r2=17143&view=diff
==============================================================================
--- branches/interatomic/test_suite/system_tests/scripts/xh_vector_dist.py 
(original)
+++ branches/interatomic/test_suite/system_tests/scripts/xh_vector_dist.py 
Mon Jul  2 22:08:15 2012
@@ -17,11 +17,13 @@
 # Load the PDB file.
 structure.read_pdb('Ap4Aase_res1-12.pdb', dir=path+'structures')
 
-# Load the backbone amide 15N spins from the structure.
+# Load the backbone amide 15N and 1H spins from the structure.
 structure.load_spins(spin_id='@N')
+structure.load_spins(spin_id='@H')
 
 # Set the XH vectors.
-structure.vectors()
+dipole_pair.define('@N', '@H')
+dipole_pair.unit_vectors()
 
 # Create the PDB file.
 structure.create_vector_dist(file='devnull', force=True)