r6605 - /1.3/test_suite/system_tests/diffusion_tensor.py -- July 03, 2008 - 00:07

Author: semor
Date: Wed Jul  2 23:47:23 2008
New Revision: 6605

URL: http://svn.gna.org/viewcvs/relax?rev=6605&view=rev
Log:
Added a test within the diffusion tensor system tests.

This one tests the structure.create_diff_tensor_pdb() function.


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=6605&r1=6604&r2=6605&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/diffusion_tensor.py (original)
+++ 1.3/test_suite/system_tests/diffusion_tensor.py Wed Jul  2 23:47:23 2008
@@ -89,3 +89,16 @@
         self.relax.interpreter._Diffusion_tensor.display()
         self.relax.interpreter._Pipe.switch('ellipsoid')
         self.relax.interpreter._Diffusion_tensor.display()
+
+
+    def test_createDiffTensor(self):
+        """The user function structure.create_diff_tensor_pdb()."""
+
+        # Create the diffusion tensor object
+        
self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', 
dir='../shared_data/structures/')
+        #self.relax.interpreter._Pipe.switch('sphere')
+        
#self.relax.interpreter._Structure.create_diff_tensor_pdb(file='tensor.pdb')
+        #self.relax.interpreter._Pipe.switch('spheroid')
+        
#self.relax.interpreter._Structure.create_diff_tensor_pdb(file='tensor.pdb')
+        self.relax.interpreter._Pipe.switch('ellipsoid')
+        
self.relax.interpreter._Structure.create_diff_tensor_pdb(file='tensor.pdb')