r8679 - /branches/ave_noe/test_suite/unit_tests/spin_testing_base.py -- January 27, 2009 - 16:49

Author: bugman
Date: Tue Jan 27 16:49:58 2009
New Revision: 8679

URL: http://svn.gna.org/viewcvs/relax?rev=8679&view=rev
Log:
Fixes for the test_create_pseudo_spin() unit test.  The atomic positions are 
now set.


Modified:
    branches/ave_noe/test_suite/unit_tests/spin_testing_base.py

Modified: branches/ave_noe/test_suite/unit_tests/spin_testing_base.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/ave_noe/test_suite/unit_tests/spin_testing_base.py?rev=8679&r1=8678&r2=8679&view=diff
==============================================================================
--- branches/ave_noe/test_suite/unit_tests/spin_testing_base.py (original)
+++ branches/ave_noe/test_suite/unit_tests/spin_testing_base.py Tue Jan 27 
16:49:58 2009
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2007-2008 Edward d'Auvergne                                  
 #
+# Copyright (C) 2007-2009 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax.                                    
 #
 #                                                                            
 #
@@ -20,6 +20,9 @@
 #                                                                            
 #
 
###############################################################################
 
+# Python module imports.
+from numpy import array
+
 # relax module imports.
 from data import Relax_data_store; ds = Relax_data_store()
 from generic_fns import pipes
@@ -263,11 +266,16 @@
         self.spin_fns.create(101, 'H14', res_id='#Old mol:1')
         self.spin_fns.create(102, 'H15', res_id='#Old mol:1')
 
-        # Create a few pseudo-spins.
+        # Get the data pipe.
+        dp = pipes.get_pipe('orig')
+
+        # Set some atomic positions.
+        dp.mol[0].res[0].spin[5].pos = [array([3.0, 0.0, 0.0])]
+        dp.mol[0].res[0].spin[6].pos = [array([0.0, 3.0, 0.0])]
+        dp.mol[0].res[0].spin[7].pos = [array([0.0, 0.0, 3.0])]
+
+        # Create a pseudo-spin.
         self.spin_fns.create_pseudo('Q3', spin_num=105, members=['@H13', 
'@H14', '@H15'], averaging='linear')
-
-        # Get the data pipe.
-        dp = pipes.get_pipe('orig')
 
         # Test that the spin numbers are correct.
         self.assertEqual(dp.mol[0].res[0].spin[5].num, 100)
@@ -280,6 +288,12 @@
         self.assertEqual(dp.mol[0].res[0].spin[6].name, 'H14')
         self.assertEqual(dp.mol[0].res[0].spin[7].name, 'H15')
         self.assertEqual(dp.mol[0].res[0].spin[8].name, 'Q3')
+
+        # Test the averaged position.
+        self.assertEqual(len(dp.mol[0].res[0].spin[8].pos), 1)
+        self.assertEqual(dp.mol[0].res[0].spin[8].pos[0][0], 1.0)
+        self.assertEqual(dp.mol[0].res[0].spin[8].pos[0][1], 1.0)
+        self.assertEqual(dp.mol[0].res[0].spin[8].pos[0][2], 1.0)
 
 
     def test_create_spin(self):