Remove casting of indices to lowercase in dataset submission

MolSSI / QCFractal

A distributed compute and database platform for quantum chemistry.

https://molssi.github.io/QCFractal/

BSD 3-Clause "New" or "Revised" License

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Remove casting of indices to lowercase in dataset submission #650

Closed dotsdl closed 12 months ago

dotsdl commented 3 years ago

Describe the bug

The indices used for datasets submitted to QCArchive are forced to lowercase, and this can cause problems for e.g. SMARTS used as the indices, in which two different SMARTs get lowered to the same index.

If there is no explicit value added from lowercasing indices, I propose we eliminate it. This change shouldn't impact existing datasets already in the database, but would perhaps impact user access for users accustomed to case-insensitive indexing.

bennybp commented 12 months ago

Dataset entries in v0.50 are now case sensitive