def test_drugs(): database_filename = utils.get_data_filename("chemicals/drugs/Zdd.mol2.gz") ifs = openeye.oechem.oemolistream(database_filename) for molecule in ifs.GetOEGraphMols(): with utils.enter_temp_directory(): molecule_name, tripos_mol2_filename = utils.molecule_to_mol2(molecule) yield lambda : utils.test_molecule(molecule_name, tripos_mol2_filename) # Cute trick to iteratively run this test over entire database.
def test_drugs(): import openeye.oechem database_filename = utils.get_data_filename("chemicals/drugs/Zdd.mol2.gz") ifs = openeye.oechem.oemolistream(database_filename) for molecule in ifs.GetOEGraphMols(): 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 drugs %s" % molecule_name)