Fix bug in PDB parser with test

ParmEd · Feb 22, 2017 · f94573c · f94573c
1 parent c742a9b
commit f94573c
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Showing 2 changed files with 6 additions and 1 deletion.
diff --git a/parmed/formats/pdb.py b/parmed/formats/pdb.py
@@ -478,7 +478,7 @@ def parse(filename, skip_bonds=False):
                                         inscode, segid)
                     else:
                         try:
-                            orig_atom = struct.atoms[atomno-1]
+                            last_atom = orig_atom = struct.atoms[atomno-1]
                         except IndexError:
                             raise PDBError('Extra atom in MODEL %d' % modelno)
                         if (orig_atom.residue.name != resname.strip()

diff --git a/test/test_parmed_formats.py b/test/test_parmed_formats.py
@@ -1052,6 +1052,11 @@ def test_pdb_write_format(self):
         pdbfile.write_pdb(f, write_anisou=True)
         self.assertTrue(diff_files(get_saved_fn('SCM_A_formatted.pdb'), f))
 
+    def test_pdb_multimodel_parsing_bug_820(self):
+        """ Test model failing in parsing due to bug #820 in GitHub """
+        # Just make sure it does not raise an exception
+        self.assertEqual(len(download_PDB('1aaf').atoms), 893)
+
     def test_pdb_write_symmetry_data(self):
         """ Tests writing PDB file with symmetry data """
         def assert_remark_290(parm, remark_290_lines):