Author: bugman
Date: Tue Feb 10 13:08:00 2015
New Revision: 27616
URL: http://svn.gna.org/viewcvs/relax?rev=27616&view=rev
Log:
Created the Structure.test_atomic_fluctuations_no_match system test.
This demonstrates a failure in the operation of the
structure.atomic_fluctuations user function when
the supplied atom ID matches no atoms.
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=27616&r1=27615&r2=27616&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Tue Feb 10 13:08:00 2015
@@ -559,6 +559,25 @@
self.assertEqual(len(script), len(lines))
for i in range(len(lines)):
self.assertEqual(script[i], lines[i])
+
+
+ def test_atomic_fluctuations_no_match(self):
+ """Check the operation of the structure.atomic_fluctuations user
function when no data matches the atom ID.
+
+ This checks the interatomic distance fluctuations calculated by the
U{structure.atomic_fluctuations user
function<http://www.nmr-relax.com/manual/structure_atomic_fluctuations.html>}.
+ """
+
+ # Load the file.
+ path = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'structures'
+ self.interpreter.structure.read_pdb('web_of_motion.pdb', dir=path)
+
+ # Run the structure.atomic_fluctuations user function and collect the
results in a dummy file object.
+ file = DummyFileObject()
+ self.interpreter.structure.atomic_fluctuations(atom_id='@X',
file=file, format='text')
+
+ # Check the file.
+ lines = file.readlines()
+ self.assertEqual(len(lines), 0)
def test_atomic_fluctuations_parallax(self):
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