Add abstract base class and methods to BaseNNP

choderalab / modelforge

Infrastructure to implement and train NNPs

https://modelforge.readthedocs.io/en/latest/

MIT License

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Add abstract base class and methods to BaseNNP #64

Closed wiederm closed 5 months ago

wiederm commented 5 months ago

Description

The BaseNNP is now an ABC, and the methods that previously raised a NotImplementedError are now abstract methods, enforcing at initialization that these are provided in subclasses.

[x] Ready to go

codecov-commenter commented 5 months ago

Codecov Report

Merging #64 (113fad8) into main (1c8eee9) will increase coverage by 0.06%. The diff coverage is 66.66%.

Additional details and impacted files