r6810 - /1.3/test_suite/system_tests/angles.py -- July 07, 2008 - 22:26

Author: bugman
Date: Mon Jul  7 22:26:26 2008
New Revision: 6810

URL: http://svn.gna.org/viewcvs/relax?rev=6810&view=rev
Log:
Some fixes for the test_angles() system test.

'attached_proton' is now called 'attached_atom'.


Modified:
    1.3/test_suite/system_tests/angles.py

Modified: 1.3/test_suite/system_tests/angles.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/angles.py?rev=6810&r1=6809&r2=6810&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/angles.py (original)
+++ 1.3/test_suite/system_tests/angles.py Mon Jul  7 22:26:26 2008
@@ -58,7 +58,7 @@
         res_name = ['GLY', 'PRO', 'LEU', 'GLY', 'SER', 'MET', 'ASP', 'SER', 
'PRO', 'PRO', 'GLU', 'GLY', 'TYR', 'ARG', 'ARG'] 
         spin_num = [1, 11, 28, 51, 59, 71, 91, 104, 116, 133, 150, 167, 
None, None, None]
         spin_name = ['N']*12 + [None]*3
-        attached_protons = [None, None, 'H', 'H', 'H', 'H', 'H', 'H', None, 
None, 'H', 'H', None, None, None]
+        attached_atoms = [None, None, 'H', 'H', 'H', 'H', 'H', 'H', None, 
None, 'H', 'H', None, None, None]
         xh_vects = [
             None,
             None,
@@ -85,6 +85,7 @@
 
         # Checks for the first 15 residues.
         for i in xrange(15):
+            print cdp.mol[0].res[i].spin[0]
             # Check the residue and spin info.
             self.assertEqual(cdp.mol[0].res[i].num, i+1)
             self.assertEqual(cdp.mol[0].res[i].name, res_name[i])
@@ -93,9 +94,9 @@
             self.assertEqual(cdp.mol[0].res[i].spin[0].name, spin_name[i])
 
             # Angles have been calculated.
-            if hasattr(cdp.mol[0].res[i].spin[0], 'attached_proton'):
+            if hasattr(cdp.mol[0].res[i].spin[0], 'attached_atom'):
                 # The attached proton.
-                self.assertEqual(cdp.mol[0].res[i].spin[0].attached_proton, 
attached_protons[i])
+                self.assertEqual(cdp.mol[0].res[i].spin[0].attached_atom, 
attached_atoms[i])
 
                 # The XH vector.
                 for j in xrange(3):
@@ -106,6 +107,6 @@
 
             # No angles calculated.
             else:
-                self.assertEqual(attached_protons[i], None)
+                self.assertEqual(attached_atoms[i], None)
                 self.assert_(not hasattr(cdp.mol[0].res[i].spin[0], 
'xh_vect'))
                 self.assert_(not hasattr(cdp.mol[0].res[i].spin[0], 'alpha'))