r25201 - in /branches/frame_order_cleanup: ./ test_suite/system_tests/structure.py -- August 22, 2014 - 11:27

Author: bugman
Date: Fri Aug 22 11:27:37 2014
New Revision: 25201

URL: http://svn.gna.org/viewcvs/relax?rev=25201&view=rev
Log:
Merged revisions 25200 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r25200 | bugman | 2014-08-22 11:24:38 +0200 (Fri, 22 Aug 2014) | 6 lines
  
  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:
    branches/frame_order_cleanup/   (props changed)
    branches/frame_order_cleanup/test_suite/system_tests/structure.py

Propchange: branches/frame_order_cleanup/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Fri Aug 22 11:27:37 2014
@@ -1 +1 @@
-/trunk:1-25198
+/trunk:1-25200

Modified: branches/frame_order_cleanup/test_suite/system_tests/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/structure.py?rev=25201&r1=25200&r2=25201&view=diff
==============================================================================
--- branches/frame_order_cleanup/test_suite/system_tests/structure.py   
(original)
+++ branches/frame_order_cleanup/test_suite/system_tests/structure.py   Fri 
Aug 22 11:27:37 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()