Add `TypedDict`s to describe data returned from parsing methods

oerc0122 / castep_outputs

Parser for CASTEP output files

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

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Add `TypedDict`s to describe data returned from parsing methods #124

Closed oerc0122 closed 5 months ago

oerc0122 commented 7 months ago

Also change zero-point_energy to zero_point_energy for normalisation of keys and simpler TypedDict

oerc0122 commented 5 months ago

This looks very pretty! And seems to leave plenty of options open for further feature development: any of these dicts can be reworked into a (data)class at a later stage if necessary, with minimal changes.

I have a few comments where readability might be improved.

Yeah, I'm not sure dataclass would ever be wanted here, but I like the fact that this form serves as documentation as well as a check.