mailr9016 - /1.3/test_suite/system_tests/model_free.py


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Posted by edward on April 28, 2009 - 13:47:
Author: bugman
Date: Tue Apr 28 13:47:51 2009
New Revision: 9016

URL: http://svn.gna.org/viewcvs/relax?rev=9016&view=rev
Log:
Added a catch for bug #13442 (https://gna.org/bugs/index.php?13442) to the 
test suite.


Modified:
    1.3/test_suite/system_tests/model_free.py

Modified: 1.3/test_suite/system_tests/model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/model_free.py?rev=9016&r1=9015&r2=9016&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/model_free.py (original)
+++ 1.3/test_suite/system_tests/model_free.py Tue Apr 28 13:47:51 2009
@@ -109,6 +109,18 @@
         return string
 
 
+    def monte_carlo(self):
+        """Run Monte Carlo simulations for the optimised model-free model."""
+
+        # Monte Carlo simulations.
+        self.relax.interpreter._Monte_carlo.setup(number=3)
+        self.relax.interpreter._Monte_carlo.create_data()
+        self.relax.interpreter._Monte_carlo.initial_values()
+        self.relax.interpreter._Minimise('newton')
+        self.relax.interpreter._Eliminate()
+        self.relax.interpreter._Monte_carlo.error_analysis()
+
+
     def object_comparison(self, obj1=None, obj2=None, skip=None):
         """Check if the contents of 2 objects are the same."""
 
@@ -559,6 +571,9 @@
 
         # Minimise.
         self.relax.interpreter._Minimisation.minimise('newton', 'gmw', 'mt')
+
+        # Monte Carlo simulations.
+        self.monte_carlo()
 
         # Alias the relevent spin container.
         spin = cdp.mol[0].res[1].spin[0]




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