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Make {start|end}_pIC50 optional in JSON schema #68

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@jchodera jchodera commented Sep 8, 2020

This PR enables sprint-3 JSON files to work with the current pipeline by making {start|end}_pIC50 optional in the JSON schema.

@jchodera jchodera added the bug Something isn't working label Sep 8, 2020
@jchodera jchodera requested a review from mcwitt September 8, 2020 04:02
@@ -78,6 +77,8 @@ class RunDetails:
start_smiles: str
start_title: str
target: str
end_pIC50: float = None
start_pIC50: float = None
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Nice! Sorry about this, I was worried we might have a problem here but convinced myself it was ok.

BTW, if we make the type Optional[float] here, we'll get warnings from mypy when we try to use start_pIC50 without first checking if it is None.

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codecov-commenter commented Sep 9, 2020

Codecov Report

Merging #68 into master will increase coverage by 0.10%.
The diff coverage is 100.00%.

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@mcwitt is this PR now outdated by the new spec?

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mcwitt commented Sep 14, 2020

@jchodera the new spec is not integrated with the code yet in master, so we could still merge this PR in the meantime! (it will be superseded by #77)

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