Author: bugman
Date: Mon Sep 22 10:16:35 2014
New Revision: 25944
URL: http://svn.gna.org/viewcvs/relax?rev=25944&view=rev
Log:
Modified the Structure.test_collapse_ensemble system test to check the initial
values.
This is for sanity reasons as the test coverage of the structure.add_atom user
function is poor.
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=25944&r1=25943&r2=25944&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Mon Sep 22 10:16:35 2014
@@ -254,6 +254,14 @@
# Add an atom.
self.interpreter.structure.add_atom(atom_name='H', res_name='Gly',
res_num=1, pos=[[0.0, 1.0, 2.0], [1.0, 2.0, 3.0]], element='H')
+
+ # Check the atomic data.
+ for i in range(2):
+ mol = cdp.structure.structural_data[i].mol[0]
+ self.assertEqual(len(mol.atom_name), 1)
+ self.assertEqual(mol.x[0], 0.0+i)
+ self.assertEqual(mol.y[0], 1.0+i)
+ self.assertEqual(mol.z[0], 2.0+i)
# Collapse the ensemble to the 2nd model.
cdp.structure.collapse_ensemble(model_num=2, model_to=1)
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