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[ENH] Update ionization energy data and metadata from NIST ASD#192

Merged
lmmentel merged 24 commits intomasterfrom
enh/nist-asd
Nov 4, 2024
Merged

[ENH] Update ionization energy data and metadata from NIST ASD#192
lmmentel merged 24 commits intomasterfrom
enh/nist-asd

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@lmmentel lmmentel commented Oct 19, 2024

  • add first draft
  • docs
  • add pydantic
  • add async fetch
  • add a function to get a single attribute for all elements
  • update
  • add semaphore and download path
  • refactor fetch and save
  • 🦆
  • add migration to new schema for ionization energies
  • extend the ionization energy model
  • 💄
  • update the alembic migration
  • update docs for ionization energies
  • data update for ionization energies
  • refactor fetching and processing data

Proposed Changes

  • Update the ionization energy from NIST ASD database
  • Add utilities to fetch NIST ASD data easily mendeleev/interfaces/nist_asd.py
  • Add mendeleev.get_attribute_for_all_elements convenience function and refactor tests

PROCESS = True

if DOWNLOAD:
raw = Path("data/ie")

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@lmmentel lmmentel added enhancement New feature or request data Data update labels Oct 20, 2024
@lmmentel lmmentel self-assigned this Oct 20, 2024
@lmmentel lmmentel merged commit b98534a into master Nov 4, 2024
@lmmentel lmmentel deleted the enh/nist-asd branch November 4, 2024 21:27
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