Author: bugman
Date: Fri Aug 22 11:11:57 2014
New Revision: 25195
URL: http://svn.gna.org/viewcvs/relax?rev=25195&view=rev
Log:
Created the Structure.test_create_diff_tensor_pdb system test.
This is to show 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=25195&r1=25194&r2=25195&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Fri Aug 22 11:11:57 2014
@@ -23,7 +23,7 @@
from math import sqrt
from numpy import float64, zeros
from os import sep
-from tempfile import mktemp
+from tempfile import mkdtemp, mktemp
# relax module imports.
from data_store import Relax_data_store; ds = Relax_data_store()
@@ -43,6 +43,9 @@
# Create the data pipe.
self.interpreter.pipe.create('mf', 'mf')
+
+ # Create a temporary directory for dumping files.
+ ds.tmpdir = mkdtemp()
def strip_remarks(self, lines):
@@ -238,6 +241,19 @@
# Superimpose.
self.interpreter.structure.superimpose(method='fit to first',
centre_type='CoM')
+
+
+ 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_delete_empty(self):
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