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Handling of radicals in kekulization (fix #120) #125

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robpollice
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Modfied _prune_from_ds to also account for radicals by not only counting AROMATIC_VALENCES but also VALENCE_ELECTRONS. Accordingly, VALENCE_ELECTRONS have been added to constants.py and new tests have been added to tests/test_specific_cases.py.

Tests are passed.

Closes #120.

@MarioKrenn6240 MarioKrenn6240 merged commit 381bd12 into aspuru-guzik-group:master Jan 6, 2025
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Kekulization Failure
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