r6939 - /1.3/test_suite/system_tests/diffusion_tensor.py -- July 11, 2008 - 15:37

Author: semor
Date: Fri Jul 11 15:13:22 2008
New Revision: 6939

URL: http://svn.gna.org/viewcvs/relax?rev=6939&view=rev
Log:
Started the modification from 'devnull' to tempfiles.

This is as proposed by Edward d'Auvergne to catch the creation of a well 
formatted and non empty
tensor pdb file and was discussed in a post at:
https://mail.gna.org/public/relax-devel/2008-07/msg00029.html (message ID:
7f080ed10807081248r1f0fda8axd17768bb841efe71@xxxxxxxxxxxxxx)


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=6939&r1=6938&r2=6939&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/diffusion_tensor.py (original)
+++ 1.3/test_suite/system_tests/diffusion_tensor.py Fri Jul 11 15:13:22 2008
@@ -21,12 +21,13 @@
 
###############################################################################
 
 # Python module imports.
+from os import remove
 from unittest import TestCase
 import sys
 
 # relax module imports.
 from data import Relax_data_store; ds = Relax_data_store()
-from relax_io import open_write_file
+from tempfile import mktemp
 
 
 class Diffusion_tensor(TestCase):
@@ -40,25 +41,41 @@
         self.relax.interpreter._Pipe.create('spheroid', 'mf')
         self.relax.interpreter._Pipe.create('ellipsoid', 'mf')
 
-        # Initialise some data.
+        # Sphere tensor initialization.
         self.relax.interpreter._Pipe.switch('sphere')
         
self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', 
dir=sys.path[-1] + '/test_suite/shared_data/structures', model=1)
         self.relax.interpreter._Sequence.read(file='Ap4Aase.seq', 
dir=sys.path[-1] + '/test_suite/system_tests/data/')
         self.relax.interpreter._Diffusion_tensor.init(10e-9, fixed=True)
+        self.tmpfile_sphere = mktemp()
+        
+        # Spheroid tensor initialization.
         self.relax.interpreter._Pipe.switch('spheroid')
         
self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', 
dir=sys.path[-1] + '/test_suite/shared_data/structures', model=1)
         self.relax.interpreter._Sequence.read(file='Ap4Aase.seq', 
dir=sys.path[-1] + '/test_suite/system_tests/data/')
         self.relax.interpreter._Diffusion_tensor.init((2e-8, 1.3, 60-360, 
290), param_types=2, spheroid_type='prolate', fixed=True)
+        self.tmpfile_spheroid = mktemp()
+
+        # Ellipsoid tensor initialization.
         self.relax.interpreter._Pipe.switch('ellipsoid')
         
self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', 
dir=sys.path[-1] + '/test_suite/shared_data/structures', model=1)
         self.relax.interpreter._Sequence.read(file='Ap4Aase.seq', 
dir=sys.path[-1] + '/test_suite/system_tests/data/')
         self.relax.interpreter._Diffusion_tensor.init((9e-8, 5e6, 0.3, 
60+360, 290, 100), fixed=False)
+        self.tmpfile_ellipsoid = mktemp()
 
 
     def tearDown(self):
         """Reset the relax data storage object."""
 
+        # Reset the relax data storage object.
         ds.__reset__()
+
+        # Delete the temporary files.
+        try:
+            remove(self.tmpfile_sphere)
+            remove(self.tmpfile_spheroid)
+            remove(self.tmpfile_ellipsoid)
+        except OSError:
+            pass
 
 
     def test_copy(self):
@@ -102,10 +119,15 @@
     def test_createDiffTensor(self):
         """The user function structure.create_diff_tensor_pdb()."""
 
-        # Create the diffusion tensor object
+        # Create the diffusion tensor objects.
         self.relax.interpreter._Pipe.switch('sphere')
-        
self.relax.interpreter._Structure.create_diff_tensor_pdb(file='devnull')
+        
self.relax.interpreter._Structure.create_diff_tensor_pdb(file=self.tmpfile_sphere)
         self.relax.interpreter._Pipe.switch('spheroid')
-        
self.relax.interpreter._Structure.create_diff_tensor_pdb(file='devnull')
+        
self.relax.interpreter._Structure.create_diff_tensor_pdb(file=self.tmpfile_spheroid)
         self.relax.interpreter._Pipe.switch('ellipsoid')
-        
self.relax.interpreter._Structure.create_diff_tensor_pdb(file='devnull')
+        
self.relax.interpreter._Structure.create_diff_tensor_pdb(file=self.tmpfile_ellipsoid)
+
+        # Open the temp files.
+        file_sphere = open(self.tmpfile_sphere)
+        file_spheroid = open(self.tmpfile_spheroid)
+        file_ellipsoid = open(self.tmpfile_ellipsoid)