r18289 - /trunk/test_suite/system_tests/scripts/n_state_model/align_fit.py -- January 24, 2013 - 10:02

Author: bugman
Date: Thu Jan 24 10:02:33 2013
New Revision: 18289

URL: http://svn.gna.org/viewcvs/relax?rev=18289&view=rev
Log:
Added Monte Carlo simulations to the align_fit.py N-state model system test 
script.

This is to increase the very low coverage of Monte Carlo simulation testing 
for the N-state model.


Modified:
    trunk/test_suite/system_tests/scripts/n_state_model/align_fit.py

Modified: trunk/test_suite/system_tests/scripts/n_state_model/align_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/n_state_model/align_fit.py?rev=18289&r1=18288&r2=18289&view=diff
==============================================================================
--- trunk/test_suite/system_tests/scripts/n_state_model/align_fit.py 
(original)
+++ trunk/test_suite/system_tests/scripts/n_state_model/align_fit.py Thu Jan 
24 10:02:33 2013
@@ -75,6 +75,17 @@
 self._execute_uf(uf_name='grid_search', inc=3)
 self._execute_uf('simplex', constraints=False, max_iter=500, 
uf_name='minimise')
 
+# 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('bfgs', constraints=False, max_iter=5, uf_name='minimise')
+self._execute_uf(uf_name='monte_carlo.error_analysis')
+
 # Write out a results file.
 self._execute_uf('devnull', force=True, uf_name='results.write')