skip find_reaction_family if family_label and forward are provided

xiaoruiDong / RDMC

Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.

https://xiaoruidong.github.io/RDMC/

MIT License

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Closed hwpang closed 1 year ago

hwpang commented 1 year ago

I found cases where this step takes significant long time (>30 sec) while I already have this information when I generated these reactions.

hwpang commented 1 year ago

@xiaoruiDong Thanks for the comments! I have addressed the issues.