diff --git a/qcelemental/tests/test_molecule.py b/qcelemental/tests/test_molecule.py index 0894e402..340de1aa 100644 --- a/qcelemental/tests/test_molecule.py +++ b/qcelemental/tests/test_molecule.py @@ -919,7 +919,7 @@ def test_frag_multiplicity_types_errors(mult_in, validate, error): @pytest.mark.parametrize( - "mol_string,args,formula,formula_dict,molecular_weight,nelec, nre", + "mol_string,args,formula,formula_dict,molecular_weight,nelec,nre", [ ("He 0 0 0", {}, "He", {"He": 1}, _one_helium_mass, 2, 0.0), ("He 0 0 0\n--\nHe 0 0 5", {}, "He2", {"He": 2}, 2 * _one_helium_mass, 4, 0.4233417684), @@ -932,7 +932,7 @@ def test_frag_multiplicity_types_errors(mult_in, validate, error): ("4He 0 0 0", {}, "He", {"He": 1}, _one_helium_mass, 2, 0.0), ("5He4 0 0 0", {}, "He", {"He": 1}, 5.012057, 2, 0.0), # suffix-4 is label ("He@3.14 0 0 0", {}, "He", {"He": 1}, 3.14, 2, 0.0), - ], + ] ) def test_molecular_weight(mol_string, args, formula, formula_dict, molecular_weight, nelec, nre): mol = Molecule.from_data(mol_string)