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Make sure extras is initialized as dict for Molecule #305

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merged 2 commits into from
May 2, 2023

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awvwgk
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@awvwgk awvwgk commented Mar 24, 2023

Description

Closes #303

Changelog description

Ensure extras attribute in Molecule is initialized as dict

Status

  • Code base linted
  • Ready to go

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codecov bot commented Mar 31, 2023

Codecov Report

Merging #305 (6347b9d) into master (86b4700) will increase coverage by 0.00%.
The diff coverage is 100.00%.

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@loriab loriab left a comment

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Thanks. I'd ordinarily have put the empty dict here https://github.com/MolSSI/QCElemental/blob/master/qcelemental/models/molecule.py#L293 instead of the init. According to https://stackoverflow.com/a/73621352 , it's handled correctly.

But as-is should be fine.

@loriab loriab merged commit 7b04890 into MolSSI:master May 2, 2023
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Molecule declares extras dictionary as Dict[str, Any] but value can be None
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