pckroon / pysmiles

A lightweight python-only library for reading and writing SMILES strings
Apache License 2.0
147 stars 21 forks source link

`[se]` and `[as]` are not properly recognized #23

Closed Kroppeb closed 1 year ago

Kroppeb commented 1 year ago

While se and as can appear as aromatics if they are placed inside square brackets, however it seems this library fails to parse them

pckroon commented 1 year ago

Hi,

well spotted and thanks for reporting it! Fix forthcoming!

Kroppeb commented 1 year ago

TYSM