diff --git a/tests/test_write_smiles.py b/tests/test_write_smiles.py index 373b037..a4cc482 100644 --- a/tests/test_write_smiles.py +++ b/tests/test_write_smiles.py @@ -145,17 +145,18 @@ ( [(0, {'element': 'Se', 'charge': 0, 'aromatic': False, 'hcount': 0})], [], - False + dict(explicit_hydrogen=False, zero_order_bonds=False, reinterpret_aromatic=True), ), ( [(0, {'element': 'As', 'charge': 0, 'aromatic': False, 'hcount': 0})], [], - False + dict(explicit_hydrogen=False, zero_order_bonds=False, reinterpret_aromatic=True), ), )) def test_write_smiles(node_data, edge_data, kwargs): mol = make_mol(node_data, edge_data) smiles = write_smiles(mol) print(smiles) + print(kwargs) found = read_smiles(smiles, **kwargs) assertEqualGraphs(mol, found)