r27627 - /trunk/test_suite/system_tests/structure.py -- February 11, 2015 - 10:49

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')