Author: bugman
Date: Tue Jan 21 10:31:30 2014
New Revision: 22035
URL: http://svn.gna.org/viewcvs/relax?rev=22035&view=rev
Log:
Merged revisions 22031 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk
........
r22031 | bugman | 2014-01-21 10:15:22 +0100 (Tue, 21 Jan 2014) | 11 lines
Created the Structure.test_bug_21522_master_record_atom_count system test.
This is designed to catch bug #21522 (https://gna.org/bugs/?21522), the
structure.write_pdb user
function creating an incorrect MASTER record. This hence also catches bug
#21520
(https://gna.org/bugs/?21520), the failure of the structure.write_pdb user
function when creating
the MASTER record due to too many ATOM and HETATM records being present.
The test simply creates to structural models, adds one atom, and writes out
a PDB file, checking its
contents.
........
Modified:
branches/double_rotor/ (props changed)
branches/double_rotor/test_suite/system_tests/structure.py
Propchange: branches/double_rotor/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Tue Jan 21 10:31:30 2014
@@ -1,1 +1,1 @@
-/trunk:1-22029
+/trunk:1-22029,22031
Modified: branches/double_rotor/test_suite/system_tests/structure.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/system_tests/structure.py?rev=22035&r1=22034&r2=22035&view=diff
==============================================================================
--- branches/double_rotor/test_suite/system_tests/structure.py (original)
+++ branches/double_rotor/test_suite/system_tests/structure.py Tue Jan 21
10:31:30 2014
@@ -93,6 +93,45 @@
# 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_bug_21522_master_record_atom_count(self):
+ """Catch U{bug #21522<https://gna.org/bugs/?21522>}, the
structure.write_pdb user function creating an incorrect MASTER record.
+
+ This also triggers bug #21520<https://gna.org/bugs/?21520>}, the
failure of the structure.write_pdb user function when creating the MASTER
record due to too many ATOM and HETATM records being present.
+ """
+
+ # Create 2 models.
+ self.interpreter.structure.add_model(model_num=1)
+ self.interpreter.structure.add_model(model_num=2)
+
+ # Add a single atom.
+ self.interpreter.structure.add_atom(atom_name='N', res_name='Pro',
res_num=2, pos=[1., 2., 3.], element='N')
+
+ # Create a PDB file.
+ file = DummyFileObject()
+ self.interpreter.structure.write_pdb(file=file, force=True)
+
+ # The file contents, as they should be.
+ contents = [
+ "REMARK 4 THIS FILE COMPLIES WITH FORMAT V. 3.30, JUL-2011.
\n",
+ "REMARK 40 CREATED BY RELAX (HTTP://WWW.NMR-RELAX.COM).
\n",
+ "MODEL 1
\n",
+ "ATOM 1 N Pro 2 1.000 2.000 3.000 1.00
0.00 N \n",
+ "TER 2 Pro 2
\n",
+ "ENDMDL
\n",
+ "MODEL 2
\n",
+ "ATOM 1 N Pro 2 1.000 2.000 3.000 1.00
0.00 N \n",
+ "TER 2 Pro 2
\n",
+ "ENDMDL
\n",
+ "MASTER 0 0 0 0 0 0 0 0 1 1
0 0 \n",
+ "END
\n"
+ ]
+
+ # Check the created PDB file.
+ lines = file.readlines()
+ for i in range(len(lines)):
+ self.assertEqual(result[i], lines[i])
def test_delete_empty(self):
r22035 - in /branches/double_rotor: ./ test_suite/system_tests/structure.py