r16921 - /branches/interatomic/test_suite/system_tests/scripts/model_free/dauvergne_protocol.py -- June 17, 2012 - 13:54

Author: bugman
Date: Sun Jun 17 13:54:03 2012
New Revision: 16921

URL: http://svn.gna.org/viewcvs/relax?rev=16921&view=rev
Log:
The bond length setting via value.set has no been merged into 
relax_data.dipole_pair.

This averaged length is dipole-dipole distance and does not need to be a 
model-free parameter.


Modified:
    
branches/interatomic/test_suite/system_tests/scripts/model_free/dauvergne_protocol.py

Modified: 
branches/interatomic/test_suite/system_tests/scripts/model_free/dauvergne_protocol.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/test_suite/system_tests/scripts/model_free/dauvergne_protocol.py?rev=16921&r1=16920&r2=16921&view=diff
==============================================================================
--- 
branches/interatomic/test_suite/system_tests/scripts/model_free/dauvergne_protocol.py
 (original)
+++ 
branches/interatomic/test_suite/system_tests/scripts/model_free/dauvergne_protocol.py
 Sun Jun 17 13:54:03 2012
@@ -201,11 +201,10 @@
 relax_data.read(ri_id='R2_500',  ri_type='R2',  frq=500*1e6, 
file='r2.500.out',  dir=data_path, mol_name_col=1, res_num_col=2, 
res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
 relax_data.read(ri_id='NOE_500', ri_type='NOE', frq=500*1e6, 
file='noe.500.out', dir=data_path, mol_name_col=1, res_num_col=2, 
res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
 
-# Define the dipolar relaxation interaction.
-relax_data.dipole_pair(spin_id1='@N', spin_id2='@H', direct_bond=True)
-value.set(1.02 * 1e-10, 'r')
-
-# Define the CSA relaxation interaction.
+# Define the magnetic dipole-dipole relaxation interaction.
+relax_data.dipole_pair(spin_id1='@N', spin_id2='@H', dist=1.02 * 1e-10, 
direct_bond=True)
+
+# Define the chemical shift relaxation interaction.
 value.set(-172 * 1e-6, 'csa')
 
 # Set the spin types.