r21050 - in /branches/relax_disp: ./ test_suite/shared_data/structures/ test_suite/system_tests/ -- October 10, 2013 - 13:59

Author: bugman
Date: Thu Oct 10 13:59:33 2013
New Revision: 21050

URL: http://svn.gna.org/viewcvs/relax?rev=21050&view=rev
Log:
Merged revisions 21049 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r21049 | bugman | 2013-10-10 13:58:50 +0200 (Thu, 10 Oct 2013) | 5 lines
  
  Created the Structure.test_bug_21187_corrupted_pdb system test to catch bug 
#21187.
  
  The bug at https://gna.org/bugs/?21187 was reported by Martin Ballaschk 
(https://gna.org/users/mab).
........

Added:
    
branches/relax_disp/test_suite/shared_data/structures/bug_21187_molecule.pdb
      - copied unchanged from r21049, 
trunk/test_suite/shared_data/structures/bug_21187_molecule.pdb
Modified:
    branches/relax_disp/   (props changed)
    branches/relax_disp/test_suite/system_tests/structure.py

Propchange: branches/relax_disp/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Thu Oct 10 13:59:33 2013
@@ -1,1 +1,1 @@
-/trunk:1-21026
+/trunk:1-21049

Modified: branches/relax_disp/test_suite/system_tests/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/structure.py?rev=21050&r1=21049&r2=21050&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/structure.py (original)
+++ branches/relax_disp/test_suite/system_tests/structure.py Thu Oct 10 
13:59:33 2013
@@ -75,6 +75,24 @@
         self.interpreter.structure.read_pdb('1OGT_trunc.pdb', dir=path, 
alt_loc='A')
         self.interpreter.structure.load_spins(spin_id='@N', ave_pos=True)
         self.interpreter.sequence.attach_protons()
+
+
+    def test_bug_21187_corrupted_pdb(self):
+        """Catch U{bug #21187<https://gna.org/bugs/?21187>}, the corrupted 
PDB with all proton atoms numbers set to zero."""
+
+        # Path of the structure file.
+        path = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'structures'
+
+        # Load the file.
+        self.interpreter.structure.read_pdb('bug_21187_molecule.pdb', 
dir=path)
+
+        # Load the @N, @H, and @NE1 spins (needed to create the :60@0 spin 
to trigger the bug later).
+        self.interpreter.structure.load_spins(spin_id='@N', ave_pos=True)
+        self.interpreter.structure.load_spins(spin_id='@NE1', ave_pos=True)
+        self.interpreter.structure.load_spins(spin_id='@H', ave_pos=True)
+
+        # Load the :60@HE1 spin - this clashes with the :60@H spin as both 
have the spin ID of ':60@0'.
+        self.interpreter.structure.load_spins(spin_id='@HE1', ave_pos=True)
 
 
     def test_delete_empty(self):