Create round trip test for exp. unit conversions

openforcefield / protein-ligand-benchmark

Protein-Ligand Benchmark Dataset for Free Energy Calculations

MIT License

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Create round trip test for exp. unit conversions #17

Open dfhahn opened 3 years ago

IAlibay commented 2 years ago

@dfhahn could you better explain what you're thinking here? There appears to be pseudo roundtrip tests in test_utils.py but I'm probably missing something obvious.