[4] Bug fix multlett atom

gruenewald-lab / CGsmiles

Coarse-Grained Smiles (CGsmiles) for representing abitrarily complex molecules using a compact line notation

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Closed fgrunewald closed 3 months ago

fgrunewald commented 6 months ago

When having multi-letter atoms such as Cl, Br etc. and they are not enclosed in square brackets the bonding descriptor annotation is off by 1

fgrunewald commented 3 months ago

replaced by rings-new