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Correct [as] test
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pckroon committed Dec 2, 2022
1 parent 05fe291 commit b07a719
Showing 1 changed file with 7 additions and 5 deletions.
12 changes: 7 additions & 5 deletions tests/test_read_smiles.py
Original file line number Diff line number Diff line change
Expand Up @@ -428,16 +428,17 @@
True
),
(
'c1[as]ccc1',
'c1[asH]ccc1',
[(0, {'charge': 0, 'element': 'C', 'aromatic': True}),
(1, {'charge': 0, 'element': 'O', 'aromatic': True}),
(1, {'charge': 0, 'element': 'As', 'aromatic': True}),
(2, {'charge': 0, 'element': 'C', 'aromatic': True}),
(3, {'charge': 0, 'element': 'C', 'aromatic': True}),
(4, {'charge': 0, 'element': 'C', 'aromatic': True}),
(5, {'charge': 0, 'element': 'H', 'aromatic': False}),
(6, {'charge': 0, 'element': 'H', 'aromatic': False}),
(7, {'charge': 0, 'element': 'H', 'aromatic': False}),
(8, {'charge': 0, 'element': 'H', 'aromatic': False})],
(8, {'charge': 0, 'element': 'H', 'aromatic': False}),
(9, {'charge': 0, 'element': 'H', 'aromatic': False})],
[(0, 1, {'order': 1.5}),
(0, 4, {'order': 1.5}),
(0, 5, {'order': 1}),
Expand All @@ -446,13 +447,14 @@
(2, 6, {'order': 1}),
(3, 4, {'order': 1.5}),
(3, 7, {'order': 1}),
(4, 8, {'order': 1})],
(4, 8, {'order': 1}),
(1, 9, {'order': 1}),],
True
),
(
'c1[se]ccc1',
[(0, {'charge': 0, 'element': 'C', 'aromatic': True}),
(1, {'charge': 0, 'element': 'O', 'aromatic': True}),
(1, {'charge': 0, 'element': 'Se', 'aromatic': True}),
(2, {'charge': 0, 'element': 'C', 'aromatic': True}),
(3, {'charge': 0, 'element': 'C', 'aromatic': True}),
(4, {'charge': 0, 'element': 'C', 'aromatic': True}),
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