r12280 - /1.3/test_suite/system_tests/scripts/model_free/opt_tm_fns.py -- January 13, 2011 - 11:07

Author: bugman
Date: Thu Jan 13 11:07:44 2011
New Revision: 12280

URL: http://svn.gna.org/viewcvs/relax?rev=12280&view=rev
Log:
Abstracted the 'tm._grid' directory to a function arg and converted the tests 
to 13C.


Modified:
    1.3/test_suite/system_tests/scripts/model_free/opt_tm_fns.py

Modified: 1.3/test_suite/system_tests/scripts/model_free/opt_tm_fns.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/model_free/opt_tm_fns.py?rev=12280&r1=12279&r2=12280&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/model_free/opt_tm_fns.py (original)
+++ 1.3/test_suite/system_tests/scripts/model_free/opt_tm_fns.py Thu Jan 13 
11:07:44 2011
@@ -145,11 +145,11 @@
     spin.select = False
 
 
-def setup_data():
+def setup_data(dir=None):
     """Set up all the relevant data prior to optimisation."""
 
     # Path of the files.
-    path = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'model_free'+sep+'tm0_grid'
+    path = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'model_free'+sep+dir
 
     # The proton frequencies in MHz.
     frq = ['400', '500', '600', '700', '800', '900', '1000']
@@ -161,9 +161,9 @@
         interpreter.relax_data.read('R2',  frq[i], float(frq[i])*1e6, 
'r2.%s.out' % frq[i],  dir=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)
 
     # Setup other values.
-    interpreter.value.set(1.04 * 1e-10, 'bond_length')
-    interpreter.value.set(-160 * 1e-6, 'csa')
-    interpreter.value.set('15N', 'heteronucleus')
+    interpreter.value.set(1.20 * 1e-10, 'bond_length')
+    interpreter.value.set(200 * 1e-6, 'csa')
+    interpreter.value.set('13C', 'heteronucleus')
     interpreter.value.set('1H', 'proton')
 
     # Select the model-free model.