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IUPAC-InChI / InChI

Main InChI repository
MIT License
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Log molfiles that produce invariance test failures #15

Closed JanCBrammer closed 3 months ago

JanCBrammer commented 3 months ago

To more easily replicate invariance test failures, log molfile(-permutations) that cause failures, by adding a molfile entry: https://github.com/IUPAC-InChI/InChI/blob/261682f1c3f4d45d6f159ae6d9bd259699ab18f8/INCHI-1-TEST/consumers.py#L99

JanCBrammer commented 3 months ago

Closing with 710b33e.