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kjappelbaum / oximachinerunner

An easy API for using oximachine.
MIT License
7 stars 5 forks source link

feat: custom exceptions #59

Closed kjappelbaum closed 3 years ago

kjappelbaum commented 3 years ago

This PR introduces some custom exception types (NoMetalError, ParsingError, FeaturizationError, PredictionError and the generel OximachineException).

The docs now give some examples in which cases the error might get raised and the tests test using Leo's examples.

kjappelbaum commented 3 years ago

and, again, pymatgen breaks the CI :D

kjappelbaum commented 3 years ago

@ltalirz can i drop py3.6 support or do you need it?

ltalirz commented 3 years ago

It's been dropped in AiiDA already; fine from that point of view