r18210 - in /trunk/test_suite: shared_data/saved_states/n_state_model_mc_fail.bz2 system_tests/n_state_model.py -- January 18, 2013 - 10:42

Author: bugman
Date: Fri Jan 18 10:42:26 2013
New Revision: 18210

URL: http://svn.gna.org/viewcvs/relax?rev=18210&view=rev
Log:
Created the N_state_model.test_mc_sim_failure system test to demonstrate a 
bug in the N-state model.

This appears to be a problem with Monte Carlo simulations when data is 
missing.


Added:
    trunk/test_suite/shared_data/saved_states/n_state_model_mc_fail.bz2   
(with props)
Modified:
    trunk/test_suite/system_tests/n_state_model.py

Added: trunk/test_suite/shared_data/saved_states/n_state_model_mc_fail.bz2
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/saved_states/n_state_model_mc_fail.bz2?rev=18210&view=auto
==============================================================================
Binary file - no diff available.

Propchange: 
trunk/test_suite/shared_data/saved_states/n_state_model_mc_fail.bz2
------------------------------------------------------------------------------
    svn:mime-type = application/octet-stream

Modified: trunk/test_suite/system_tests/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/n_state_model.py?rev=18210&r1=18209&r2=18210&view=diff
==============================================================================
--- trunk/test_suite/system_tests/n_state_model.py (original)
+++ trunk/test_suite/system_tests/n_state_model.py Fri Jan 18 10:42:26 2013
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2008-2012 Edward d'Auvergne                                  
 #
+# Copyright (C) 2008-2013 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax (http://www.nmr-relax.com).         
 #
 #                                                                            
 #
@@ -459,6 +459,24 @@
         self.script_exec(status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'n_state_model'+sep+'lactose_n_state.py')
 
 
+    def test_mc_sim_failure(self):
+        """Test the setup of the Monte Carlo simulations
+        
+        This failed when this test was added, and is probably due to missing 
data.
+        """
+
+        # Load the state.
+        path = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'saved_states'+sep+'n_state_model_mc_fail.bz2'
+        self.interpreter.state.load(path)
+
+        # Monte Carlo simulations.
+        self.interpreter.monte_carlo.setup(number=3)
+        self.interpreter.monte_carlo.create_data()
+        self.interpreter.monte_carlo.initial_values()
+        self.interpreter.minimise('newton', constraints=False)
+        self.interpreter.monte_carlo.error_analysis()
+
+
     def test_metal_pos_opt(self):
         """Test a certain algorithm for the optimisation of the lanthanide 
position using RDCs and PCSs (with missing data)."""