r18488 - /trunk/test_suite/system_tests/structure.py -- February 18, 2013 - 18:52

Author: bugman
Date: Mon Feb 18 18:52:39 2013
New Revision: 18488

URL: http://svn.gna.org/viewcvs/relax?rev=18488&view=rev
Log:
Added checks for the atomic information to the Structure.test_rmsd system 
test.

This demonstrates a failure of structure.add_atom user function when 
specifying different positions
for the different models.


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=18488&r1=18487&r2=18488&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Mon Feb 18 18:52:39 2013
@@ -901,6 +901,17 @@
         self.interpreter.structure.add_atom(atom_name='A', res_name='UNK', 
res_num=2, pos=[[1., 2., 0.], [0., 2., 0.], [0., 2., 1.]], element='S')
         self.interpreter.structure.add_atom(atom_name='A', res_name='UNK', 
res_num=3, pos=[[1., 20., 0.], [0., 20., 0.], [0., 20., 1.]], element='S')
 
+        # Check the internal atomic info.
+        self.assertEqual(cdp.structure.structural_data[0].mol[0].x, [1., 1., 
1.])
+        self.assertEqual(cdp.structure.structural_data[0].mol[0].y, [0., 2., 
20.])
+        self.assertEqual(cdp.structure.structural_data[0].mol[0].z, [0., 0., 
0.])
+        self.assertEqual(cdp.structure.structural_data[1].mol[0].x, [0., 0., 
0.])
+        self.assertEqual(cdp.structure.structural_data[1].mol[0].y, [0., 2., 
20.])
+        self.assertEqual(cdp.structure.structural_data[1].mol[0].z, [0., 0., 
0.])
+        self.assertEqual(cdp.structure.structural_data[2].mol[0].x, [0., 0., 
0.])
+        self.assertEqual(cdp.structure.structural_data[2].mol[0].y, [0., 2., 
20.])
+        self.assertEqual(cdp.structure.structural_data[2].mol[0].z, [1., 1., 
1.])
+
         # Calculate the RMSD.
         self.interpreter.structure.rmsd()