r11655 - in /branches/bmrb: generic_fns/ test_suite/system_tests/ test_suite/unit_tests/ -- October 22, 2010 - 22:11

Author: bugman
Date: Fri Oct 22 22:11:38 2010
New Revision: 11655

URL: http://svn.gna.org/viewcvs/relax?rev=11655&view=rev
Log:
A few system and unit test fixes broken by recent rearrangements of the 
diffusion tensor code.


Modified:
    branches/bmrb/generic_fns/diffusion_tensor.py
    branches/bmrb/test_suite/system_tests/angles.py
    branches/bmrb/test_suite/unit_tests/diffusion_tensor_testing_base.py

Modified: branches/bmrb/generic_fns/diffusion_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/diffusion_tensor.py?rev=11655&r1=11654&r2=11655&view=diff
==============================================================================
--- branches/bmrb/generic_fns/diffusion_tensor.py (original)
+++ branches/bmrb/generic_fns/diffusion_tensor.py Fri Oct 22 22:11:38 2010
@@ -595,7 +595,7 @@
         Di, R, alpha, beta, gamma = tensor_eigen_system(tensor)
 
         # Set the parameters.
-        set(value=[Di_sort[0], Di_sort[1], Di_sort[2]], param=['Dx', 'Dy', 
'Dz'])
+        set(value=[Di[0], Di[1], Di[2]], param=['Dx', 'Dy', 'Dz'])
 
         # Change the angular units.
         angle_units = 'rad'

Modified: branches/bmrb/test_suite/system_tests/angles.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/test_suite/system_tests/angles.py?rev=11655&r1=11654&r2=11655&view=diff
==============================================================================
--- branches/bmrb/test_suite/system_tests/angles.py (original)
+++ branches/bmrb/test_suite/system_tests/angles.py Fri Oct 22 22:11:38 2010
@@ -64,7 +64,7 @@
             [0.820296708196, 0.570330671495, -0.0428513205774],
             [-0.223383112106, -0.034680483158, -0.974113571055]
         ]
-        alpha = [None, None, 1.9520343757367986, 2.7290472392365279, 
2.419205013244329, 2.8233982819255239, 0.82721388443178889, 
0.84005102282930511, None, None, 0.7056707530666082, 2.0797049142007396]
+        alpha = [None, None, 2.8102691247870459, 2.6063738282640672, 
2.9263088853837358, 2.5181004004450211, 1.3361463581932049, 
1.5031623128368377, None, None, 1.0968465542222101, 1.1932423104331247]
 
         # Molecule checks.
         self.assertEqual(len(cdp.mol), 1)

Modified: branches/bmrb/test_suite/unit_tests/diffusion_tensor_testing_base.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/test_suite/unit_tests/diffusion_tensor_testing_base.py?rev=11655&r1=11654&r2=11655&view=diff
==============================================================================
--- branches/bmrb/test_suite/unit_tests/diffusion_tensor_testing_base.py 
(original)
+++ branches/bmrb/test_suite/unit_tests/diffusion_tensor_testing_base.py Fri 
Oct 22 22:11:38 2010
@@ -137,7 +137,7 @@
         self.assertAlmostEqual(dp.diff_tensor.tm * 1e9, 8.6, 14)
         self.assertEqual(dp.diff_tensor.Da, 5.2854122621564493e6)
         self.assertEqual(dp.diff_tensor.theta, 5.2359877559829879)
-        self.assertEqual(dp.diff_tensor.phi, 1.0471975511965983)
+        self.assertEqual(dp.diff_tensor.phi, 2.7925268031909276)
         self.assertEqual(dp.diff_tensor.fixed, 0)
 
 
@@ -212,7 +212,7 @@
         self.assertAlmostEqual(dp.diff_tensor.tm * 1e9, 8.6, 14)
         self.assertEqual(dp.diff_tensor.Da, 5.2854122621564493e6)
         self.assertEqual(dp.diff_tensor.theta, 5.2359877559829879)
-        self.assertEqual(dp.diff_tensor.phi, 1.0471975511965983)
+        self.assertEqual(dp.diff_tensor.phi, 2.7925268031909276)
         self.assertEqual(dp.diff_tensor.fixed, 0)
 
 
@@ -402,5 +402,5 @@
         self.assertAlmostEqual(dp.diff_tensor.tm * 1e9, 8.6, 14)
         self.assertEqual(dp.diff_tensor.Da, 5.2854122621564493e6)
         self.assertEqual(dp.diff_tensor.theta, 5.2359877559829879)
-        self.assertEqual(dp.diff_tensor.phi, 1.0471975511965983)
+        self.assertEqual(dp.diff_tensor.phi, 2.7925268031909276)
         self.assertEqual(dp.diff_tensor.fixed, 0)