r11273 - in /1.3/test_suite/system_tests/scripts/n_state_model: align_fit.py paramag_centre_fit.py -- July 02, 2010 - 10:41

Author: bugman
Date: Fri Jul  2 10:41:41 2010
New Revision: 11273

URL: http://svn.gna.org/viewcvs/relax?rev=11273&view=rev
Log:
Renamed the pcs.centre() user function to paramag.centre() in the system 
tests.

This is because in the future this paramagnetic centre position is shared 
with the PRE.


Modified:
    1.3/test_suite/system_tests/scripts/n_state_model/align_fit.py
    1.3/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py

Modified: 1.3/test_suite/system_tests/scripts/n_state_model/align_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/n_state_model/align_fit.py?rev=11273&r1=11272&r2=11273&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/n_state_model/align_fit.py (original)
+++ 1.3/test_suite/system_tests/scripts/n_state_model/align_fit.py Fri Jul  2 
10:41:41 2010
@@ -52,7 +52,7 @@
     pcs.read(align_id='synth', file=pcs_file, 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)
 
     # Set the paramagnetic centre.
-    pcs.centre(atom_id=':1000@CA')
+    paramag.centre(atom_id=':1000@CA')
 
     # The temperature.
     temperature(id='synth', temp=303)

Modified: 
1.3/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py?rev=11273&r1=11272&r2=11273&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py 
(original)
+++ 1.3/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py 
Fri Jul  2 10:41:41 2010
@@ -56,7 +56,7 @@
 n_state_model.select_model(model='fixed')
 
 # Paramagnetic centre optimisation.
-n_state_model.fix_paramag_centre(fix=False)
+paramag.centre(fix=False)
 
 # Set the tensor elements.
 #cdp.align_tensors[0].Axx = -0.351261/2000