r10945 - in /1.3: generic_fns/diffusion_tensor.py test_suite/unit_tests/diffusion_tensor_testing_base.py -- February 25, 2010 - 15:31

Author: bugman
Date: Thu Feb 25 15:31:51 2010
New Revision: 10945

URL: http://svn.gna.org/viewcvs/relax?rev=10945&view=rev
Log:
The spheroidal diffusion tensor major axis angles are now folded using 
angles.fold_spherical_angles().


Modified:
    1.3/generic_fns/diffusion_tensor.py
    1.3/test_suite/unit_tests/diffusion_tensor_testing_base.py

Modified: 1.3/generic_fns/diffusion_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/diffusion_tensor.py?rev=10945&r1=10944&r2=10945&view=diff
==============================================================================
--- 1.3/generic_fns/diffusion_tensor.py (original)
+++ 1.3/generic_fns/diffusion_tensor.py Thu Feb 25 15:31:51 2010
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2003-2009 Edward d'Auvergne                                  
 #
+# Copyright (C) 2003-2010 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax.                                    
 #
 #                                                                            
 #
@@ -32,6 +32,7 @@
 from angles import wrap_angles
 from data.diff_tensor import DiffTensorData
 from generic_fns import pipes
+from generic_fns.angles import fold_spherical_angles
 from relax_errors import RelaxError, RelaxNoTensorError, RelaxStrError, 
RelaxTensorError, RelaxUnknownParamCombError, RelaxUnknownParamError
 
 
@@ -454,8 +455,9 @@
         if sim_index == None:
             # Fold phi inside 0 and pi.
             if cdp.diff_tensor.phi >= pi:
-                cdp.diff_tensor.theta = pi - cdp.diff_tensor.theta
-                cdp.diff_tensor.phi = cdp.diff_tensor.phi - pi
+                theta, phi = fold_spherical_angles(cdp.diff_tensor.theta, 
cdp.diff_tensor.theta)
+                cdp.diff_tensor.theta = theta
+                cdp.diff_tensor.phi = phi
 
         # Simulated theta and phi values.
         else:

Modified: 1.3/test_suite/unit_tests/diffusion_tensor_testing_base.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/unit_tests/diffusion_tensor_testing_base.py?rev=10945&r1=10944&r2=10945&view=diff
==============================================================================
--- 1.3/test_suite/unit_tests/diffusion_tensor_testing_base.py (original)
+++ 1.3/test_suite/unit_tests/diffusion_tensor_testing_base.py Thu Feb 25 
15:31:51 2010
@@ -136,8 +136,8 @@
         self.assertEqual(dp.diff_tensor.spheroid_type, 'prolate')
         self.assertAlmostEqual(dp.diff_tensor.tm * 1e9, 8.6, 14)
         self.assertEqual(dp.diff_tensor.Da, 5.2854122621564493e6)
-        self.assertEqual(dp.diff_tensor.theta, 2.0943951023931948)
-        self.assertEqual(dp.diff_tensor.phi, 2.7925268031909276)
+        self.assertEqual(dp.diff_tensor.theta, 5.2359877559829879)
+        self.assertEqual(dp.diff_tensor.phi, 1.0471975511965983)
         self.assertEqual(dp.diff_tensor.fixed, 0)
 
 
@@ -211,8 +211,8 @@
         self.assertEqual(dp.diff_tensor.spheroid_type, 'prolate')
         self.assertAlmostEqual(dp.diff_tensor.tm * 1e9, 8.6, 14)
         self.assertEqual(dp.diff_tensor.Da, 5.2854122621564493e6)
-        self.assertEqual(dp.diff_tensor.theta, 2.0943951023931948)
-        self.assertEqual(dp.diff_tensor.phi, 2.7925268031909276)
+        self.assertEqual(dp.diff_tensor.theta, 5.2359877559829879)
+        self.assertEqual(dp.diff_tensor.phi, 1.0471975511965983)
         self.assertEqual(dp.diff_tensor.fixed, 0)
 
 
@@ -401,6 +401,6 @@
         self.assertEqual(dp.diff_tensor.spheroid_type, 'prolate')
         self.assertAlmostEqual(dp.diff_tensor.tm * 1e9, 8.6, 14)
         self.assertEqual(dp.diff_tensor.Da, 5.2854122621564493e6)
-        self.assertEqual(dp.diff_tensor.theta, 2.0943951023931948)
-        self.assertEqual(dp.diff_tensor.phi, 2.7925268031909276)
+        self.assertEqual(dp.diff_tensor.theta, 5.2359877559829879)
+        self.assertEqual(dp.diff_tensor.phi, 1.0471975511965983)
         self.assertEqual(dp.diff_tensor.fixed, 0)