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When will smiles be randered as Kekule structrue and when will not? #174

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Valen-C12 opened this issue May 5, 2023 · 3 comments
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@Valen-C12
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Valen-C12 commented May 5, 2023

And can we config it to always (not) use kekulize?
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@Acylation
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Seems like only when all carbons in the ring in lower case will the ring be aromatized.

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@luokui-c12
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smiles should be kekulize mode

@xavierholt
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Here are some more test cases. My summary of the current behaviour:

  • Rings only draw as aromatic when all the atoms (not bonds!) that make up the ring are aromatic (lower case).
  • Double bonds draw as half-dashed aromatic bonds when they're both a) between aromatic atoms and b) in rings.
  • Explicit aromatic bonds (:) draw as single bonds; I can't figure out how to draw one that's not part of a ring.
Screen Shot 2024-05-08 at 12 21 09 AM

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4 participants