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Added __all__ list in __init__.py
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PicoCentauri committed Sep 21, 2023
1 parent ff68051 commit 7edc780
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34 changes: 24 additions & 10 deletions python/rascaline-torch/rascaline/torch/__init__.py
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Expand Up @@ -19,16 +19,30 @@

from . import utils # noqa
from .calculator_base import CalculatorModule, register_autograd # noqa
from .system import System, systems_to_torch # noqa


# don't forget to also update `rascaline/__init__.py` and
# `rascaline/torch/calculators.py` when modifying this file
from .calculators import AtomicComposition # noqa isort: skip
from .calculators import SortedDistances # noqa isort: skip
from .calculators import NeighborList # noqa isort: skip
from .calculators import LodeSphericalExpansion # noqa isort: skip
from .calculators import SphericalExpansion # noqa isort: skip
from .calculators import SphericalExpansionByPair # noqa isort: skip
from .calculators import SoapRadialSpectrum # noqa isort: skip
from .calculators import SoapPowerSpectrum # noqa isort: skip
from .calculators import ( # noqa
AtomicComposition,
LodeSphericalExpansion,
NeighborList,
SoapPowerSpectrum,
SoapRadialSpectrum,
SortedDistances,
SphericalExpansion,
SphericalExpansionByPair,
)
from .system import System, systems_to_torch # noqa


__all__ = [
"AtomicComposition",
"CalculatorBase",
"LodeSphericalExpansion",
"NeighborList",
"SoapPowerSpectrum",
"SoapRadialSpectrum",
"SortedDistances",
"SphericalExpansion",
"SphericalExpansionByPair",
]
13 changes: 13 additions & 0 deletions python/rascaline/rascaline/__init__.py
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Expand Up @@ -19,3 +19,16 @@
from .status import RascalError # noqa
from .systems import IntoSystem, SystemBase # noqa
from .version import __version__ # noqa


__all__ = [
"AtomicComposition",
"CalculatorBase",
"LodeSphericalExpansion",
"NeighborList",
"SoapPowerSpectrum",
"SoapRadialSpectrum",
"SortedDistances",
"SphericalExpansion",
"SphericalExpansionByPair",
]

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