Source code for dxtb._src.typing.project

# This file is part of dxtb.
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# SPDX-Identifier: Apache-2.0
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"""
Typing: Project
===============

Project-specific type annotations.
"""

from __future__ import annotations

import torch
from tad_mctc.typing import CNFunction, CNGradFunction

from .builtin import TypedDict
from .compat import Slicer

__all__ = ["CNFunction", "CNGradFunction", "ContainerData", "Slicers"]




class Slicers(TypedDict):
    """Collection of slicers of different resolutions for culling in SCF."""

    orbital: Slicer
    """Slicer for orbital-resolved variables."""
    shell: Slicer
    """Slicer for shell-resolved variables."""
    atom: Slicer
    """Slicer for atom-resolved variables."""



class ContainerData(TypedDict):
    """Shape and label information of Potentials."""

    mono: torch.Size | None
    """Shape of the monopolar potential."""

    dipole: torch.Size | None
    """Shape of the dipolar potential."""

    quad: torch.Size | None
    """Shape of the quadrupolar potential."""

    label: list[str] | str | None
    """Labels for the interactions contributing to the potential."""