Author: bugman Date: Mon Jan 21 21:25:50 2013 New Revision: 18247 URL: http://svn.gna.org/viewcvs/relax?rev=18247&view=rev Log: Added Monte Carlo simulations to the N_state_model.test_paramag_centre_fit system test. This is to better test the code paths. Modified: trunk/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py Modified: trunk/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py?rev=18247&r1=18246&r2=18247&view=diff ============================================================================== --- trunk/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py (original) +++ trunk/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py Mon Jan 21 21:25:50 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)