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move escn to deprecated #851

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move escn to deprecated #851

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@misko misko commented Sep 12, 2024

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@misko misko added deprecation Code deprecation patch Patch version release labels Sep 12, 2024
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codecov bot commented Sep 13, 2024

Codecov Report

Attention: Patch coverage is 96.14325% with 14 lines in your changes missing coverage. Please review.

Files with missing lines Patch % Lines
src/fairchem/core/models/escn/escn_deprecated.py 96.26% 13 Missing ⚠️
src/fairchem/core/models/escn/escn.py 83.33% 1 Missing ⚠️
Files with missing lines Coverage Δ
src/fairchem/core/models/escn/__init__.py 100.00% <100.00%> (ø)
src/fairchem/core/models/escn/escn_exportable.py 98.01% <100.00%> (ø)
src/fairchem/core/models/escn/escn.py 95.83% <83.33%> (-0.04%) ⬇️
src/fairchem/core/models/escn/escn_deprecated.py 96.26% <96.26%> (ø)

@misko misko marked this pull request as ready for review September 13, 2024 19:37
@misko misko requested a review from rayg1234 September 13, 2024 19:37
from e3nn import o3


@registry.register_model("escn")
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Id suggest using @deprecated from typing_extenstions to show a warning message when we deprecate things.

@@ -139,8 +139,12 @@ def __init__(

# Initialize the transformations between spherical and grid representations
self.SO3_grid = nn.ModuleDict()
self.SO3_grid["lmax_lmax"] = SO3_Grid(self.lmax, self.lmax, resolution=resolution)
self.SO3_grid["lmax_mmax"] = SO3_Grid(self.lmax, self.mmax, resolution=resolution)
self.SO3_grid["lmax_lmax"] = SO3_Grid(
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are we using different linters? lol, ive been manually calling ruff ...

atomic_numbers = data.atomic_numbers.long()
assert (
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add this back?

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3 participants