`reinterpret_aromatic` erases aromatic rings containing a `N+`

pckroon / pysmiles

A lightweight python-only library for reading and writing SMILES strings

Apache License 2.0

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Closed Kroppeb closed 5 months ago

Kroppeb commented 9 months ago

Example: OCCc1c(C)[n+](cs1)Cc2cnc(C)nc2N or CCc(c1)ccc2[n+]1ccc3c2[nH]c4c3cccc4

pckroon commented 9 months ago

What do you mean by "erases aromatic rings"? Does it remove atoms or flag them as not aromatic?

Kroppeb commented 9 months ago

It removes the flag.