r11045 - /1.3/test_suite/system_tests/diffusion_tensor.py -- March 19, 2010 - 16:49

Author: bugman
Date: Fri Mar 19 16:49:14 2010
New Revision: 11045

URL: http://svn.gna.org/viewcvs/relax?rev=11045&view=rev
Log:
The values from the ellipsoid optimisation is now carefully checked.


Modified:
    1.3/test_suite/system_tests/diffusion_tensor.py

Modified: 1.3/test_suite/system_tests/diffusion_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/diffusion_tensor.py?rev=11045&r1=11044&r2=11045&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/diffusion_tensor.py (original)
+++ 1.3/test_suite/system_tests/diffusion_tensor.py Fri Mar 19 16:49:14 2010
@@ -512,6 +512,20 @@
         # Execute the script.
         self.interpreter.run(script_file=__main__.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'diff_tensor'+sep+'tensor_opt.py')
 
+        # Print out.
+        print cdp.diff_tensor
+
+        # The real data.
+        Dx, Dy, Dz, Diso, Da, Dr, alpha, beta, gamma, D, D_prime, R = 
self.get_ellipsoid()
+
+        # Check the values.
+        self.assertAlmostEqual(cdp.chi2, 0.0)
+        self.assertEqual(cdp.diff_tensor.fixed, False)
+        self.assertEqual(cdp.diff_tensor.type, 'ellipsoid')
+
+        # Check the ellipsoid.
+        self.check_ellipsoid(Dx, Dy, Dz, Diso, Da, Dr, alpha, beta, gamma, 
D, D_prime, R)
+
 
     def test_opt_sphere(self):
         """Check that the sphere diffusion tensor optimisation functions 
correctly."""