core.datasets.atoms_sequence

core.datasets.atoms_sequence#

Copyright (c) Meta Platforms, Inc. and affiliates.

This source code is licensed under the MIT license found in the LICENSE file in the root directory of this source tree.

Classes#

AtomsSequence

Base class for protocol classes.

AtomsDatasetSequence

Turn an AseAtomsDataset into an AtomsSequence that iterates over atoms objects.

Module Contents#

class core.datasets.atoms_sequence.AtomsSequence#

Bases: Protocol

Base class for protocol classes.

Protocol classes are defined as:

class Proto(Protocol):
    def meth(self) -> int:
        ...

Such classes are primarily used with static type checkers that recognize structural subtyping (static duck-typing).

For example:

class C:
    def meth(self) -> int:
        return 0

def func(x: Proto) -> int:
    return x.meth()

func(C())  # Passes static type check

See PEP 544 for details. Protocol classes decorated with @typing.runtime_checkable act as simple-minded runtime protocols that check only the presence of given attributes, ignoring their type signatures. Protocol classes can be generic, they are defined as:

class GenProto[T](Protocol):
    def meth(self) -> T:
        ...
__getitem__(index: int) → ase.Atoms#
__getitem__(index: slice) → AtomsSequence
__len__() → int#
class core.datasets.atoms_sequence.AtomsDatasetSequence(dataset: fairchem.core.datasets.ase_datasets.AseAtomsDataset)#

Turn an AseAtomsDataset into an AtomsSequence that iterates over atoms objects.

dataset#
__getitem__(index: int | slice) → ase.Atoms | AtomsSequence#
__len__() → int#
Contents