Skip to content

Commit

Permalink
Fixed test by avoiding writing files named with IUPAC molecule names.
Browse files Browse the repository at this point in the history
  • Loading branch information
jchodera committed Feb 7, 2015
1 parent 1caf671 commit d46dc7b
Showing 1 changed file with 4 additions and 2 deletions.
6 changes: 4 additions & 2 deletions gaff2xml/tests/test_common_molecules.py
Original file line number Diff line number Diff line change
Expand Up @@ -37,5 +37,7 @@ def test_common_molecules():
molecule = gaff2xml.openeye.iupac_to_oemol(molecule_name)
molecule = gaff2xml.openeye.get_charges(molecule)
with utils.enter_temp_directory():
molecule_name, tripos_mol2_filename = utils.molecule_to_mol2(molecule)
yield utils.tag_description(lambda : utils.test_molecule(molecule_name, tripos_mol2_filename), "Testing molecule %s" % molecule_name)
tripos_mol2_filename = 'molecule.mol2'
molecule_name, tripos_mol2_filename = utils.molecule_to_mol2(molecule, tripos_mol2_filename=tripos_mol2_filename)
yield utils.tag_description(lambda : utils.test_molecule('molecule', tripos_mol2_filename), "Testing molecule %s" % molecule_name)

0 comments on commit d46dc7b

Please sign in to comment.