r18504 - /trunk/test_suite/system_tests/structure.py -- February 19, 2013 - 21:45

Author: bugman
Date: Tue Feb 19 21:45:50 2013
New Revision: 18504

URL: http://svn.gna.org/viewcvs/relax?rev=18504&view=rev
Log:
Better checks for the atomic data in the Structure.test_read_pdb_1UBQ system 
test.


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=18504&r1=18503&r2=18504&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Tue Feb 19 21:45:50 2013
@@ -838,15 +838,25 @@
 
         # Check the first atom.
         
self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_num[0], 1)
+        
self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_name[0], 'N')
+        
self.assertEqual(cdp.structure.structural_data[0].mol[0].chain_id[0], 'A')
+        
self.assertEqual(cdp.structure.structural_data[0].mol[0].res_name[0], 'MET')
+        self.assertEqual(cdp.structure.structural_data[0].mol[0].res_num[0], 
1)
         self.assertEqual(cdp.structure.structural_data[0].mol[0].x[0], 
27.340)
         self.assertEqual(cdp.structure.structural_data[0].mol[0].y[0], 
24.430)
         self.assertEqual(cdp.structure.structural_data[0].mol[0].z[0], 2.614)
-
-        # Check the last atom.
-        
self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_num[-1], 602)
-        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[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)
+        
self.assertEqual(cdp.structure.structural_data[0].mol[0].element[-1], 'O')
 
 
     def test_read_xyz_internal1(self):