r11668 - /1.3/test_suite/unit_tests/_data/test_diff_tensor.py -- November 17, 2010 - 16:45

Author: bugman
Date: Wed Nov 17 16:45:32 2010
New Revision: 11668

URL: http://svn.gna.org/viewcvs/relax?rev=11668&view=rev
Log:
Some rotation matrix check fixes for the diffusion tensor unit tests.


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=11668&r1=11667&r2=11668&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 Wed Nov 17 16:45:32 
2010
@@ -22,11 +22,12 @@
 
 # Python module imports.
 from math import cos, pi, sin
-from numpy import array, dot, transpose
+from numpy import array, dot, float64, transpose, zeros
 from unittest import TestCase
 
 # relax module imports.
 from data.diff_tensor import DiffTensorData, DiffTensorSimList
+from maths_fns.rotation_matrix import two_vect_to_R
 from relax_errors import RelaxError
 
 
@@ -47,16 +48,21 @@
 
         # Matrices.
         if Dpar > Dper:
+            axis = array([0, 0, 1], float64)
             tensor_diag = array([[ Dper,  0.0,  0.0],
                                  [  0.0, Dper,  0.0],
                                  [  0.0,  0.0, Dpar]])
         else:
+            axis = array([1, 0, 0], float64)
             tensor_diag = array([[ Dpar,  0.0,  0.0],
                                  [  0.0, Dper,  0.0],
                                  [  0.0,  0.0, Dper]])
-        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) ]])
+
+        # The rotation.
+        rotation = zeros((3, 3), float64)
+        two_vect_to_R(Dpar_unit, axis, rotation)
+
+        # The diffusion tensor.
         tensor = dot(rotation, dot(tensor_diag, transpose(rotation)))
 
         # Return the objects.
@@ -87,6 +93,7 @@
 
         # Set the diffusion type.
         self.diff_data.type = 'spheroid'
+        self.diff_data.spheroid_type = 'oblate'
 
         # Set the MC sim diffusion parameter lists.
         self.diff_data.tm_sim = DiffTensorSimList('tm', self.diff_data)
@@ -159,6 +166,7 @@
 
         # Set the diffusion type.
         self.diff_data.type = 'spheroid'
+        self.diff_data.spheroid_type = 'prolate'
 
         # Set the diffusion parameters.
         self.diff_data.tm_err = tm
@@ -204,6 +212,7 @@
 
         # Set the diffusion type.
         self.diff_data.type = 'spheroid'
+        self.diff_data.spheroid_type = 'prolate'
 
         # Set the diffusion parameters.
         self.diff_data.tm = tm
@@ -255,6 +264,7 @@
 
         # Set the diffusion type.
         self.diff_data.type = 'spheroid'
+        self.diff_data.spheroid_type = 'prolate'
 
         # Set the MC sim diffusion parameter lists.
         self.diff_data.tm_sim = DiffTensorSimList('tm', self.diff_data)