mailr24314 - /branches/frame_order_cleanup/test_suite/system_tests/frame_order.py


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Posted by edward on June 25, 2014 - 10:56:
Author: bugman
Date: Wed Jun 25 10:56:37 2014
New Revision: 24314

URL: http://svn.gna.org/viewcvs/relax?rev=24314&view=rev
Log:
Created the Frame_order.test_rigid_data_to_double_rotor_model system test.

This shows that the double rotor model works perfectly when the domains of 
the molecule are rigid.


Modified:
    branches/frame_order_cleanup/test_suite/system_tests/frame_order.py

Modified: branches/frame_order_cleanup/test_suite/system_tests/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/frame_order.py?rev=24314&r1=24313&r2=24314&view=diff
==============================================================================
--- branches/frame_order_cleanup/test_suite/system_tests/frame_order.py 
(original)
+++ branches/frame_order_cleanup/test_suite/system_tests/frame_order.py Wed 
Jun 25 10:56:37 2014
@@ -1183,6 +1183,19 @@
         self.space_probe(ref_chi2=chi2, params=['ave_pos_alpha', 
'ave_pos_beta', 'ave_pos_gamma', 'eigen_alpha', 'eigen_beta', 'eigen_gamma', 
'cone_theta_x', 'cone_theta_y'])
 
 
+    def test_rigid_data_to_double_rotor_model(self):
+        """Test the double rotor target function for the data from a rigid 
test molecule."""
+
+        # Set the model.
+        ds.model = 'double rotor'
+
+        # Execute the script.
+        self.script_exec(status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'rigid_test.py')
+
+        # Check the chi2 value.
+        self.assertAlmostEqual(cdp.chi2, 0.01137748706675365, 5)
+
+
     def test_rigid_data_to_free_rotor_model(self):
         """Test the free rotor target function for the data from a rigid 
test molecule."""
 




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