reymond-group/smilesDrawer

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

Opened this issue · 3 comments

And can we config it to always (not) use kekulize?
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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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smiles should be kekulize mode

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.
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