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microsoft / syntheseus

Package for Retrosynthetic Planning
https://microsoft.github.io/syntheseus/
MIT License
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Remove PredictionList #61

Closed AustinT closed 9 months ago

AustinT commented 9 months ago

This PR replaces PredictionList objects (and their subclasses) with Sequence[Prediction]. It is meant as the first step to merge the two kinds of reaction model interfaces. The PredictionList class was then deleted.

I chose Sequence[Prediction] instead of list[Prediction] to allow PredictionList-like functionality in the future if we ever desire it. This would be implemented by subclassing Sequence.

I also changed the search BackwardReactionModel class to return list[Sequence] instead of list[list] to prepare for the class merger in a subsequent PR.

AustinT commented 9 months ago

Reviewing notes: