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OCPCalculator to FAIRChemCalculator #722

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HabibOmar
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Changed all occurrences of OCPCalculator to FAIRChemCalculator.

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@lbluque lbluque left a comment

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Thanks @HabibOmar, if you can change imports to use the convenience import from fairchem.core import FAIRChemCalculator were applicable that would be great!

docs/core/gotchas.md Outdated Show resolved Hide resolved
@HabibOmar
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Hi @lbluque,

I have addressed the requested changes and resolved the conversation. Please review the updates when you have a chance and let me know if there is something else that needs to be changed.

Thank you!

@mshuaibii
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mshuaibii commented Jul 18, 2024

Hi @HabibOmar

Thanks for this. It would be nice to add backwards compatibility for OCPCalculator. Something like this is what I had in mind - we did this when we renamed all our dataset classes. This should also help resolve the failing tests.

class TrajectoryLmdbDataset(LmdbDataset[BaseData]):
def __init__(self, config, transform=None) -> None:
super().__init__(config)
warnings.warn(
"TrajectoryLmdbDataset is deprecated and will be removed in the future."
"Please use 'LmdbDataset' instead.",
stacklevel=3,
)

We can deprecate this in a future release once more people are familiar with the transition.

Also - FAIRChemCalculator is quite verbose and I'm open to alternatives :)

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3 participants