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Merge pull request #31 from pckroon/fix_tests
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Fix test format
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pckroon authored Jul 27, 2023
2 parents 077f254 + d40a477 commit b52f0aa
Showing 1 changed file with 3 additions and 2 deletions.
5 changes: 3 additions & 2 deletions tests/test_write_smiles.py
Original file line number Diff line number Diff line change
Expand Up @@ -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)

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