r25200 - /trunk/test_suite/system_tests/structure.py -- August 22, 2014 - 11:24

Author: bugman
Date: Fri Aug 22 11:24:38 2014
New Revision: 25200

URL: http://svn.gna.org/viewcvs/relax?rev=25200&view=rev
Log:
Created the Structure.test_create_diff_tensor_pdb2 system test.

This is to catch another situation leading to bug #22505 
(https://gna.org/bugs/?22505), the failure
of the structure.create_diff_tensor_pdb user function when no structural data 
is present.


Modified:
    trunk/test_suite/system_tests/structure.py

Modified: trunk/test_suite/system_tests/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=25200&r1=25199&r2=25200&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py  (original)
+++ trunk/test_suite/system_tests/structure.py  Fri Aug 22 11:24:38 2014
@@ -245,6 +245,39 @@
 
     def test_create_diff_tensor_pdb(self):
         """Test the deletion of non-existent structural data."""
+
+        # Delete all structural data.
+        self.interpreter.structure.delete()
+
+        # Set up a diffusion tensor.
+        self.interpreter.diffusion_tensor.init((8.5e-9, 1.1, 20.0, 20.0), 
param_types=2)
+
+        # Create the PDB representation.
+        self.interpreter.structure.create_diff_tensor_pdb(scale=1.8e-06, 
file='prolate.pdb', dir=ds.tmpdir, force=True)
+
+
+    def test_create_diff_tensor_pdb(self):
+        """Test the creation of the diffusion tensor PDB representation."""
+
+        # Delete all structural data.
+        self.interpreter.structure.delete()
+
+        # Set up a diffusion tensor.
+        self.interpreter.diffusion_tensor.init((8.5e-9, 1.1, 20.0, 20.0), 
param_types=2)
+
+        # Create the PDB representation.
+        self.interpreter.structure.create_diff_tensor_pdb(scale=1.8e-06, 
file='prolate.pdb', dir=ds.tmpdir, force=True)
+
+
+    def test_create_diff_tensor_pdb2(self):
+        """Test the creation of the diffusion tensor PDB representation, 
after deleting structural data."""
+
+        # Path of the files.
+        path = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'structures'+sep+'lactose'
+
+        # Read the PDBs.
+        self.interpreter.structure.read_pdb(file='lactose_MCMM4_S1_1.pdb', 
dir=path, set_mol_name='L1')
+        self.interpreter.structure.read_pdb(file='lactose_MCMM4_S1_2.pdb', 
dir=path, set_mol_name='L2')
 
         # Delete all structural data.
         self.interpreter.structure.delete()