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Make atom and ring hybridization filters consistent #67

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jthorton opened this issue Nov 18, 2024 · 0 comments
Open

Make atom and ring hybridization filters consistent #67

jthorton opened this issue Nov 18, 2024 · 0 comments
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enhancement New feature or request

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@jthorton
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jthorton commented Nov 18, 2024

    Thanks, @jthorton , this looks good to me! 
    I just have one general question to this filter:
    Right now, this only removes / disallows mappings between an aromatic and aliphatic ring. 
    Would we also want to disallow mapping e.g. two aliphatic rings with different hybridization of some atoms (e.g. 
    cyclohexane and cyclohexene) or should those cases be handled in the atom hybridization change filter?

Originally posted by @hannahbaumann in #65 (review)

@jthorton jthorton self-assigned this Nov 18, 2024
@jthorton jthorton added the enhancement New feature or request label Nov 18, 2024
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