r3008 - /1.3/test_suite/unit_tests/data/test_diff_tensor.py -- January 13, 2007 - 13:32

Author: bugman
Date: Sat Jan 13 13:31:39 2007
New Revision: 3008

URL: http://svn.gna.org/viewcvs/relax?rev=3008&view=rev
Log:
Shifted the calculation of the diffusion objects from the 
'test_set_spheroid_params' unit test.

These are now calculated by the method 'self.calc_spheroid_objects()' so that 
it can be used by
unit tests for the setting of spheroidal errors and simulation values.


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=3008&r1=3007&r2=3008&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 13:31:39 
2007
@@ -39,6 +39,31 @@
 
 # Tests for the data.diff_tensor module.
 class Test_diff_tensor(TestCase):
+    def calc_spheroid_objects(self, tm, Da, theta, phi):
+        """Function for calculating the spheroidal diffusion tensor 
objects."""
+
+        # The parameter values.
+        Diso = 1/(6*tm)
+        Dpar = Diso + 2.0/3.0 * Da
+        Dper = Diso - 1.0/3.0 * Da
+        Dratio = Dpar / Dper
+
+        # Vectors.
+        Dpar_unit = array([sin(theta) * cos(phi), sin(theta) * sin(phi), 
cos(theta)])
+
+        # Matrices.
+        tensor_diag = array([[ Dper,  0.0,  0.0],
+                             [  0.0, Dper,  0.0],
+                             [  0.0,  0.0, Dpar]])
+        rotation = array([[ cos(theta) * cos(phi), -sin(phi), sin(theta) * 
cos(phi) ],
+                          [ cos(theta) * sin(phi),  cos(phi), sin(theta) * 
sin(phi) ],
+                          [           -sin(theta),       0.0,            
cos(theta) ]])
+        tensor = dot(rotation, dot(tensor_diag, transpose(rotation)))
+
+        # Return the objects.
+        return Diso, Dpar, Dper, Dratio, Dpar_unit, tensor_diag, rotation, 
tensor
+
+
     def setUp(self):
         """Set 'self.diff_data' to an empty instance of the 
DiffTensorElement class."""
 
@@ -60,23 +85,6 @@
         Da = 2e6
         theta = (60 / 360.0) * 2.0 * pi
         phi = (290 / 360.0) * 2.0 * pi
-        Diso = 1/(6*tm)
-        Dpar = Diso + 2.0/3.0 * Da
-        Dper = Diso - 1.0/3.0 * Da
-        Dratio = Dpar / Dper
-
-        # Vectors.
-        Dpar_unit = array([sin(theta) * cos(phi), sin(theta) * sin(phi), 
cos(theta)])
-
-        # Matrices.
-        tensor_diag = array([[ Dper,  0.0,  0.0],
-                             [  0.0, Dper,  0.0],
-                             [  0.0,  0.0, Dpar]])
-        rotation = array([[ cos(theta) * cos(phi), -sin(phi), sin(theta) * 
cos(phi) ],
-                          [ cos(theta) * sin(phi),  cos(phi), sin(theta) * 
sin(phi) ],
-                          [           -sin(theta),       0.0,            
cos(theta) ]])
-        tensor = dot(rotation, dot(tensor_diag, transpose(rotation)))
-
 
         # Set the diffusion type.
         self.diff_data.type = 'spheroid'
@@ -93,6 +101,9 @@
         self.assertEqual(self.diff_data.Da, Da)
         self.assertEqual(self.diff_data.theta, theta)
         self.assertEqual(self.diff_data.phi, 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, Diso)