Improve type safety and documentation in powerups modules #1332
+244
−176
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Summary
Made changes to
atomate2/vasp/powerups.pyandatomate2/common/powerups.pyJobTypeTypeVar for functions accepting union of types such asJob | Flow | Makerso that the return type by the static type checker is the same as the input type.Potential problem: at some point we can find
flow: Flow, additional_fields: dict, class_filter: Maker = BaseVaspMaker, the class filter then get send toupdate_custodian_handlerswhere we can findcode = class_filter.name.split(" ")[1]Here an instance property is called on what is supposed to be a type, I assume this is done because in practice the property is only implemented in the
Makerbase class and conventionally overridden by a class attribute in most subclasses (hacky).@JaGeo @naik-aakash
Checklist
The easiest way to handle this is to run the following in the correct sequence on
your local machine. Start with running
ruffandruff formaton your new code. This willautomatically reformat your code to PEP8 conventions and fix many linting issues.
Run ruff on your code.
type check your code.