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Feature: move database to modern .JSON format #25

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merged 6 commits into from
Aug 12, 2023
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@rkingsbury rkingsbury commented Aug 12, 2023

This PR is an extensive overhaul of the database system.

  • replace Solute with a @dataclass based document model that houses all data associated with a particular species
  • Consolidate all existing database data into a structured JSON file comprising serialized Solute classes. The source data and build process for this file have been removed from the repo (at least for now).
  • Remove old Solute, ParamsDB, and Parameter classes
  • Update Solution to pull data from the JSON file via maggma.Store.
  • Add kwarg to Solution.__init__ to allow pointing to an arbitrary maggma.Store, not just the built-in one
  • Add molar_volume data for 14 ions
  • add maggma as a new dependency
  • Linting

Documentation updates will be done later as part of another PR.

@rkingsbury rkingsbury added this to the v0.6.0 milestone Aug 12, 2023
@rkingsbury rkingsbury merged commit afa4be7 into develop Aug 12, 2023
@rkingsbury rkingsbury deleted the db_refresh branch August 12, 2023 15:55
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