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

Open Valen-C12 opened this issue 1 year ago • 3 comments

And can we config it to always (not) use kekulize? image

Valen-C12 avatar May 05 '23 10:05 Valen-C12

Seems like only when all carbons in the ring in lower case will the ring be aromatized.

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Acylation avatar Jun 01 '23 18:06 Acylation

smiles should be kekulize mode

luokui-c12 avatar Sep 08 '23 14:09 luokui-c12

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

xavierholt avatar May 08 '24 07:05 xavierholt