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adjust test
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fgrunewald committed May 8, 2024
1 parent 3ebf20f commit ed02617
Showing 1 changed file with 12 additions and 12 deletions.
24 changes: 12 additions & 12 deletions tests/test_read_smiles.py
Expand Up @@ -398,21 +398,21 @@
),
(
'c12ccccc1[nH]cc2',
[(0, {'charge': 0, 'element': 'C', 'aromatic': False, 'hcount': 0}),
(1, {'charge': 0, 'element': 'C', 'aromatic': False, 'hcount': 1}),
(2, {'charge': 0, 'element': 'C', 'aromatic': False, 'hcount': 1}),
(3, {'charge': 0, 'element': 'C', 'aromatic': False, 'hcount': 1}),
(4, {'charge': 0, 'element': 'C', 'aromatic': False, 'hcount': 1}),
(5, {'charge': 0, 'element': 'C', 'aromatic': False, 'hcount': 0}),
[(0, {'charge': 0, 'element': 'C', 'aromatic': True, 'hcount': 0}),
(1, {'charge': 0, 'element': 'C', 'aromatic': True, 'hcount': 1}),
(2, {'charge': 0, 'element': 'C', 'aromatic': True, 'hcount': 1}),
(3, {'charge': 0, 'element': 'C', 'aromatic': True, 'hcount': 1}),
(4, {'charge': 0, 'element': 'C', 'aromatic': True, 'hcount': 1}),
(5, {'charge': 0, 'element': 'C', 'aromatic': True, 'hcount': 0}),
(6, {'charge': 0, 'element': 'N', 'aromatic': False, 'hcount': 1}),
(7, {'charge': 0, 'element': 'C', 'aromatic': False, 'hcount': 1}),
(8, {'charge': 0, 'element': 'C', 'aromatic': False, 'hcount': 1}),],
[(0, 1, {'order': 2}),
(1, 2, {'order': 1}),
(2, 3, {'order': 2}),
(3, 4, {'order': 1}),
(4, 5, {'order': 2}),
(5, 0, {'order': 1}),
[(0, 1, {'order': 1.5}),
(1, 2, {'order': 1.5}),
(2, 3, {'order': 1.5}),
(3, 4, {'order': 1.5}),
(4, 5, {'order': 1.5}),
(5, 0, {'order': 1.5}),
(5, 6, {'order': 1}),
(6, 7, {'order': 1}),
(7, 8, {'order': 2}),
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