r21429 - /trunk/test_suite/system_tests/n_state_model.py -- November 13, 2013 - 17:05

Author: bugman
Date: Wed Nov 13 17:05:05 2013
New Revision: 21429

URL: http://svn.gna.org/viewcvs/relax?rev=21429&view=rev
Log:
Updated the value checking for the N_state_model.test_absolute_rdc_menthol 
system test.

The pseudo-atoms are now properly handled so the result is now much better.


Modified:
    trunk/test_suite/system_tests/n_state_model.py

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=21429&r1=21428&r2=21429&view=diff
==============================================================================
--- trunk/test_suite/system_tests/n_state_model.py (original)
+++ trunk/test_suite/system_tests/n_state_model.py Wed Nov 13 17:05:05 2013
@@ -203,14 +203,14 @@
         self.script_exec(status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'n_state_model'+sep+'absolute_rdcs_menthol.py')
 
         # Test the optimised values.
-        self.assertAlmostEqual(cdp.align_tensors[0].Axx, -9.784232367053e-05)
-        self.assertAlmostEqual(cdp.align_tensors[0].Ayy, -7.158933725824e-05)
-        self.assertAlmostEqual(cdp.align_tensors[0].Axy, 4.467570786770e-06)
-        self.assertAlmostEqual(cdp.align_tensors[0].Axz, 5.153319781627e-06)
-        self.assertAlmostEqual(cdp.align_tensors[0].Ayz, 1.801211682780e-04)
-        self.assertAlmostEqual(cdp.chi2, 1044.9572886805781)
+        self.assertAlmostEqual(cdp.align_tensors[0].Axx, 
-2.183595975281820e-04)
+        self.assertAlmostEqual(cdp.align_tensors[0].Ayy, 
-7.014379141006286e-05)
+        self.assertAlmostEqual(cdp.align_tensors[0].Axy, 
-1.744959310458587e-05)
+        self.assertAlmostEqual(cdp.align_tensors[0].Axz, 
3.646699595026552e-05)
+        self.assertAlmostEqual(cdp.align_tensors[0].Ayz, 
2.592895195459969e-04)
+        self.assertAlmostEqual(cdp.chi2, 728.32717233107246)
         self.assertAlmostEqual(cdp.q_rdc, 0.0)
-        self.assertAlmostEqual(cdp.q_rdc_norm2, 0.81262759306400001)
+        self.assertAlmostEqual(cdp.q_rdc_norm2, 0.7547452273747645)
 
 
     def test_absolute_T(self):