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schrodinger / coordgenlibs

Schrodinger-developed 2D Coordinate Generation
BSD 3-Clause "New" or "Revised" License
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Add a trivial SMILES-like parser to aid with writing unit tests #86

Closed d-b-w closed 3 years ago

d-b-w commented 3 years ago

It's nice to be able to encode connectivity in unit tests instead of relying on an outside file. Using a basic SMILES format allows that.