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reversibility desc for unclassified
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snelliott committed Nov 25, 2024
1 parent 031db26 commit fe4ef56
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2 changes: 2 additions & 0 deletions automol/const.py
Original file line number Diff line number Diff line change
Expand Up @@ -55,12 +55,14 @@ def reverse(cls, value: str):
cls.HOMOLYT_SCISSION: None,
cls.RING_FORM_SCISSION: None,
cls.ELIMINATION: cls.INSERTION,
cls.UNCLASSIFIED_UNIMOL: cls.UNCLASSIFIED_UNIMOL,
# Bimolecular reactions
cls.HYDROGEN_ABSTRACTION: cls.HYDROGEN_ABSTRACTION,
cls.ADDITION: cls.BETA_SCISSION,
cls.INSERTION: cls.ELIMINATION,
cls.DOUBLE_INSERTION: None,
cls.SUBSTITUTION: cls.SUBSTITUTION,
cls.UNCLASSIFIED_BIMOL: None,
}
return reverse_dct[cls(value)]

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