mailr7295 - /1.3/test_suite/system_tests/unit_vectors.py


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Posted by edward on September 25, 2008 - 16:39:
Author: bugman
Date: Thu Sep 25 16:39:11 2008
New Revision: 7295

URL: http://svn.gna.org/viewcvs/relax?rev=7295&view=rev
Log:
Fixes for the unit vector system test.


Modified:
    1.3/test_suite/system_tests/unit_vectors.py

Modified: 1.3/test_suite/system_tests/unit_vectors.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/unit_vectors.py?rev=7295&r1=7294&r2=7295&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/unit_vectors.py (original)
+++ 1.3/test_suite/system_tests/unit_vectors.py Thu Sep 25 16:39:11 2008
@@ -50,8 +50,18 @@
         # Read the PDB file.
         
self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', 
dir=sys.path[-1] + '/test_suite/shared_data/structures', model=1)
 
+        # Load the spins.
+        self.relax.interpreter._Structure.load_spins(spin_id='@N')
+
         # Calculate the unit vectors.
         self.relax.interpreter._Structure.vectors(attached='H')
 
+        # Alias the current data pipe.
+        cdp = ds[ds.current_pipe]
+
         # Leu 3.
-        self.assert_(hasattr(cdp.mol[0].res[2].spin[0], xh_vect))
+        self.assert_(hasattr(cdp.mol[0].res[2].spin[0], 'xh_vect'))
+        self.assertNotEqual(cdp.mol[0].res[2].spin[0].xh_vect, None)
+        self.assertAlmostEqual(cdp.mol[0].res[2].spin[0].xh_vect[0], 
0.40899187)
+        self.assertAlmostEqual(cdp.mol[0].res[2].spin[0].xh_vect[1], 
-0.80574458)
+        self.assertAlmostEqual(cdp.mol[0].res[2].spin[0].xh_vect[2], 
0.42837054)




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