r18248 - in /branches/frame_order_testing: ./ test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py -- January 21, 2013 - 21:26

Author: bugman
Date: Mon Jan 21 21:26:21 2013
New Revision: 18248

URL: http://svn.gna.org/viewcvs/relax?rev=18248&view=rev
Log:
Merged revisions 18247 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r18247 | bugman | 2013-01-21 21:25:50 +0100 (Mon, 21 Jan 2013) | 5 lines
  
  Added Monte Carlo simulations to the N_state_model.test_paramag_centre_fit 
system test.
  
  This is to better test the code paths.
........

Modified:
    branches/frame_order_testing/   (props changed)
    
branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py

Propchange: branches/frame_order_testing/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Mon Jan 21 21:26:21 2013
@@ -1,1 +1,1 @@
-/trunk:1-18245
+/trunk:1-18247

Modified: 
branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py?rev=18248&r1=18247&r2=18248&view=diff
==============================================================================
--- 
branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py
 (original)
+++ 
branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py
 Mon Jan 21 21:26:21 2013
@@ -100,6 +100,17 @@
 self._execute_uf(uf_name='minimise', min_algor='simplex', constraints=False, 
max_iter=500)
 #self._execute_uf(uf_name='calc')
 
+# Set up the errors needed for the simulations.
+self._execute_uf(uf_name='rdc.set_errors', sd=1.0)
+self._execute_uf(uf_name='pcs.set_errors', sd=0.1)
+
+# Monte Carlo simulations.
+self._execute_uf(uf_name='monte_carlo.setup', number=3)
+self._execute_uf(uf_name='monte_carlo.create_data')
+self._execute_uf(uf_name='monte_carlo.initial_values')
+self._execute_uf('simplex', constraints=False, max_iter=500, 
uf_name='minimise')
+self._execute_uf(uf_name='monte_carlo.error_analysis')
+
 # Write out a results file.
 self._execute_uf(uf_name='results.write', file='devnull', force=True)