r3011 - /1.3/test_suite/unit_tests/data/test_diff_tensor.py -- January 13, 2007 - 14:03

Author: bugman
Date: Sat Jan 13 14:03:07 2007
New Revision: 3011

URL: http://svn.gna.org/viewcvs/relax?rev=3011&view=rev
Log:
Added the unit test 'test_set_spheroid_sim'.

This test checks the setting of Monte Carlo simulation spheroidal diffusion 
tensor parameters making
sure that the diffusion tensor objects are correctly created and that the 
previous values have been
properly overwritten.


Modified:
    1.3/test_suite/unit_tests/data/test_diff_tensor.py

Modified: 1.3/test_suite/unit_tests/data/test_diff_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/unit_tests/data/test_diff_tensor.py?rev=3011&r1=3010&r2=3011&view=diff
==============================================================================
--- 1.3/test_suite/unit_tests/data/test_diff_tensor.py (original)
+++ 1.3/test_suite/unit_tests/data/test_diff_tensor.py Sat Jan 13 14:03:07 
2007
@@ -126,6 +126,16 @@
         self.assertEqual(self.diff_data.tensor_sim[0].tostring(), 
tensor.tostring())
 
 
+    def test_set_Diso(self):
+        """Test that the Diso parameter cannot be set."""
+
+        # Assert that a RelaxError occurs when Diso is set (to the tm value 
of 10 ns).
+        self.assertRaises(RelaxError, setattr, self.diff_data, 'Diso', 
1/(6*1e-8))
+
+        # Make sure that the Diso parameter has not been set.
+        self.assert_(not hasattr(self.diff_data, 'Diso'))
+
+
     def test_set_spheroid_errors(self):
         """Test the setting of spheroidal diffusion tensor parameter errors.
 
@@ -221,14 +231,73 @@
         self.assertEqual(self.diff_data.tensor.tostring(), tensor.tostring())
 
 
-    def test_set_Diso(self):
-        """Test that the Diso parameter cannot be set."""
-
-        # Assert that a RelaxError occurs when Diso is set (to the tm value 
of 10 ns).
-        self.assertRaises(RelaxError, setattr, self.diff_data, 'Diso', 
1/(6*1e-8))
-
-        # Make sure that the Diso parameter has not been set.
-        self.assert_(not hasattr(self.diff_data, 'Diso'))
+    def test_set_spheroid_sim(self):
+        """Test the setting of Monte Carlo simulation spheroidal diffusion 
tensor parameters.
+
+        Firstly the following parameters will be appended to empty lists:
+            tm: 2 ns
+            Da: 1e5
+            theta: 0 degrees
+            phi: 360 degrees
+
+        These MC sim values will then be explicity overwritten by setting 
the first elements of the
+        lists to:
+            tm: 0.5 ns
+            Da: 3e5
+            theta: 2 degrees
+            phi: 0 degrees
+        """
+
+        # Set the diffusion type.
+        self.diff_data.type = 'spheroid'
+
+        # Set the MC sim diffusion parameter lists.
+        self.diff_data.tm_sim = DiffTensorSimList()
+        self.diff_data.Da_sim = DiffTensorSimList()
+        self.diff_data.theta_sim = DiffTensorSimList()
+        self.diff_data.phi_sim = DiffTensorSimList()
+
+        # Append the initial values.
+        self.diff_data.tm_sim.append(2e-9)
+        self.diff_data.Da_sim.append(1e5)
+        self.diff_data.theta_sim.append(0.0)
+        self.diff_data.phi_sim.append(2.0 * pi)
+
+        # The new MC sim parameter values.
+        tm = 0.5e-9
+        Da = 3e5
+        theta = (2 / 360.0) * 2.0 * pi
+        phi = 0.0
+
+        # Set the MC sim parameter values (overwriting the initial values).
+        self.diff_data.tm_sim[0] = tm
+        self.diff_data.Da_sim[0] = Da
+        self.diff_data.theta_sim[0] = theta
+        self.diff_data.phi_sim[0] = phi
+
+        # Test the set values.
+        self.assertEqual(self.diff_data.type, 'spheroid')
+        self.assertEqual(self.diff_data.tm_sim[0], tm)
+        self.assertEqual(self.diff_data.Da_sim[0], Da)
+        self.assertEqual(self.diff_data.theta_sim[0], theta)
+        self.assertEqual(self.diff_data.phi_sim[0], phi)
+
+        # Calculate the diffusion tensor objects.
+        Diso, Dpar, Dper, Dratio, Dpar_unit, tensor_diag, rotation, tensor = 
self.calc_spheroid_objects(tm, Da, theta, phi)
+
+        # Test the automatically created values.
+        self.assertEqual(self.diff_data.Diso_sim[0], Diso)
+        self.assertEqual(self.diff_data.Dpar_sim[0], Dpar)
+        self.assertEqual(self.diff_data.Dper_sim[0], Dper)
+        self.assertEqual(self.diff_data.Dratio_sim[0], Dratio)
+
+        # Test the vectors.
+        self.assertEqual(self.diff_data.Dpar_unit_sim[0].tostring(), 
Dpar_unit.tostring())
+
+        # Test the matrices.
+        self.assertEqual(self.diff_data.tensor_diag_sim[0].tostring(), 
tensor_diag.tostring())
+        self.assertEqual(self.diff_data.rotation_sim[0].tostring(), 
rotation.tostring())
+        self.assertEqual(self.diff_data.tensor_sim[0].tostring(), 
tensor.tostring())
 
 
     def test_set_tm(self):