Author: bugman
Date: Wed Feb 11 10:49:57 2015
New Revision: 27627
URL: http://svn.gna.org/viewcvs/relax?rev=27627&view=rev
Log:
Modified the Structure.test_read_pdb_1UBQ system test for the new water
skipping feature.
As the structure.read_pdb user function will now skip waters, the last atom in
the structural object
will now be the last ubiquitin atom and not the last water atom.
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=27627&r1=27626&r2=27627&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Wed Feb 11 10:49:57 2015
@@ -3939,15 +3939,15 @@
self.assertEqual(cdp.structure.structural_data[0].mol[0].z[0], 2.614)
self.assertEqual(cdp.structure.structural_data[0].mol[0].element[0],
'N')
- # Check the last atom (from the last water HETATM record).
- self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_num[-1],
661)
-
self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_name[-1], 'O')
- self.assertEqual(cdp.structure.structural_data[0].mol[0].chain_id[-1],
None)
- self.assertEqual(cdp.structure.structural_data[0].mol[0].res_name[-1],
'HOH')
- self.assertEqual(cdp.structure.structural_data[0].mol[0].res_num[-1],
58)
- self.assertEqual(cdp.structure.structural_data[0].mol[0].x[-1], 37.667)
- self.assertEqual(cdp.structure.structural_data[0].mol[0].y[-1], 43.421)
- self.assertEqual(cdp.structure.structural_data[0].mol[0].z[-1], 17.000)
+ # Check the last atom (from the last ATOM record, as water HETATM
records are skipped).
+ self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_num[-1],
602)
+
self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_name[-1], 'OXT')
+ self.assertEqual(cdp.structure.structural_data[0].mol[0].chain_id[-1],
'A')
+ self.assertEqual(cdp.structure.structural_data[0].mol[0].res_name[-1],
'GLY')
+ self.assertEqual(cdp.structure.structural_data[0].mol[0].res_num[-1],
76)
+ self.assertEqual(cdp.structure.structural_data[0].mol[0].x[-1], 40.862)
+ self.assertEqual(cdp.structure.structural_data[0].mol[0].y[-1], 39.575)
+ self.assertEqual(cdp.structure.structural_data[0].mol[0].z[-1], 36.251)
self.assertEqual(cdp.structure.structural_data[0].mol[0].element[-1],
'O')
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