r12172 - /1.3/test_suite/system_tests/diffusion_tensor.py -- January 10, 2011 - 12:16

Author: bugman
Date: Mon Jan 10 12:16:09 2011
New Revision: 12172

URL: http://svn.gna.org/viewcvs/relax?rev=12172&view=rev
Log:
Added a new system test for the prolate diffusion tensor, this time checking 
the diffusion type.

A spherical tensor is sent in, triggering the bug found by Vitaly Vostri 
<vvostri att gmail dott
com> (Message-id: 
<AANLkTinRO3ZCNwL6GeqWdx0uBvv=PQ=zw6vpdQQeruBW@xxxxxxxxxxxxxx>
https://mail.gna.org/public/relax-users/2010-12/msg00014.html).

The problem is that the prolate tensor is changed to an oblate one!?!


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=12172&r1=12171&r2=12172&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/diffusion_tensor.py (original)
+++ 1.3/test_suite/system_tests/diffusion_tensor.py Mon Jan 10 12:16:09 2011
@@ -190,7 +190,7 @@
                 self.assertAlmostEqual(cdp.diff_tensor.rotation[i, j], R[i, 
j])
 
 
-    def check_spheroid(self, tm, Dpar, Dper, Diso, Da, Dratio, theta, phi, 
D, D_prime, R):
+    def check_spheroid(self, tm, Dpar, Dper, Diso, Da, Dratio, theta, phi, 
D, D_prime, R, spheroid_type=None):
         """Check if the spheroid in the cdp has the same values as given."""
 
         # Print outs.
@@ -231,6 +231,10 @@
             # Compare projections.
             self.assertAlmostEqual(proj1, proj2)
 
+        # Check the type.
+        if spheroid_type:
+            self.assertEqual(spheroid_type, cdp.diff_tensor.spheroid_type)
+
 
     def check_spheroid_as_ellipsoid(self, tm, Dx, Dy, Dz, Diso, Da, D, 
D_prime, R):
         """Check if the ellipsoid in the cdp has the same values as given 
spheroid."""
@@ -779,10 +783,27 @@
         self.interpreter.pipe.create('spheroid2', 'mf')
 
         # Tensor initialization.
-        self.interpreter.diffusion_tensor.init((tm, Da, theta, phi), 
param_types=0, angle_units='rad')
-
-        # Check the spheroid.
-        self.check_spheroid(tm, Dpar, Dper, Diso, Da, Dratio, theta, phi, D, 
D_prime, R)
+        self.interpreter.diffusion_tensor.init((tm, Da, theta, phi), 
spheroid_type='prolate', param_types=0, angle_units='rad')
+
+        # Check the spheroid.
+        self.check_spheroid(tm, Dpar, Dper, Diso, Da, Dratio, theta, phi, D, 
D_prime, R)
+
+
+    def test_init_prolate_spheroid_param_types_0b(self):
+        """Test the initialisation of the prolate spheroid diffusion tensor 
using parameter set 0."""
+
+        # Get the spheroid data.
+        Dpar, Dper, theta, phi = 8e7, 8e7, 0.5, 1.0
+        tm, Dx, Dy, Dz, Diso, Da, Dratio, D, D_prime, R = 
self.get_spheroid(Dpar=Dpar, Dper=Dper, theta=theta, phi=phi)
+
+        # Create a new data pipe.
+        self.interpreter.pipe.create('spheroid2', 'mf')
+
+        # Tensor initialization.
+        self.interpreter.diffusion_tensor.init((tm, Da, theta, phi), 
spheroid_type='prolate', param_types=0, angle_units='rad')
+
+        # Check the spheroid.
+        self.check_spheroid(tm, Dpar, Dper, Diso, Da, Dratio, theta, phi, D, 
D_prime, R, spheroid_type='prolate')
 
 
     def test_init_prolate_spheroid_param_types_1(self):