From d46dc7b2258413adbeff4c7fe05093d2044a7a92 Mon Sep 17 00:00:00 2001 From: "John Chodera (MSKCC)" Date: Fri, 6 Feb 2015 20:45:31 -0500 Subject: [PATCH] Fixed test by avoiding writing files named with IUPAC molecule names. --- gaff2xml/tests/test_common_molecules.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/gaff2xml/tests/test_common_molecules.py b/gaff2xml/tests/test_common_molecules.py index 3a24b8c..66abc3b 100644 --- a/gaff2xml/tests/test_common_molecules.py +++ b/gaff2xml/tests/test_common_molecules.py @@ -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) +