OPTIMADE-related fix (chemical_formula_anonymous vs generic)

wolverton-research-group / qmpy

A suite of computational materials science tools.

https://oqmd.org

MIT License

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OPTIMADE-related fix (chemical_formula_anonymous vs generic) #135

Closed tachyontraveler closed 2 years ago

tachyontraveler commented 2 years ago

OQMD and OPTIMADE have different ordering of anonymous/generic elements in the generic formula. This caused disagreements with the OPTIMADE response format for that parameter.

More info: Related Issue

This PR also includes better error reporting from REST query parsing. A 501 error is added to highlight Not Implemented errors.