Source code for lcmd_db._overloads

# marker: 0.3.2:2d4195b1fc3d
# AUTO-GENERATED by lcmd-db 0.3.2. DO NOT EDIT.
# Regenerate with: lcmd-db sync-stubs
from __future__ import annotations

from collections.abc import Sequence
from pathlib import Path
from typing import TYPE_CHECKING, Literal, overload

from .types import DataFormat, Include, SubsetData, Value

if TYPE_CHECKING:
    from .subsets import fragflp as _sub_fragflp
    from .subsets import oscar_nhc as _sub_oscar_nhc
    from .subsets import pictet_spengler as _sub_pictet_spengler

fragflp_fragment_property = Literal[
    "canonical_smiles", "inchi", "inchi_key", "name", "smiles"
]
oscar_nhc_molecule_property = Literal[
    "anion_energy",
    "cation_energy",
    "chemical_potential",
    "e_gri",
    "electron_affinity",
    "electronegativity",
    "electrophilicity",
    "electrophilicity_index",
    "energy",
    "hardness",
    "hardness_fmo",
    "homo",
    "homo_hartree",
    "inchi",
    "inchi_key",
    "ionisation_potential",
    "log_ke",
    "log_kn",
    "lumo",
    "lumo_hartree",
    "molecular_formula",
    "molecular_weight",
    "n_gri",
    "nucleophilicity",
    "nucleophilicity_index",
    "percent_buried_volume",
    "pka",
    "relative_nucleophilicity",
    "smiles",
    "structure_id",
    "t_sne_dim1",
    "t_sne_dim2",
]
pictet_spengler_molecule_property = Literal[
    "inchi", "inchi_key", "molecular_formula", "molecular_weight", "smiles"
]
pictet_spengler_reaction_property = Literal[
    "cat_g",
    "cocat_g",
    "deltadeltag",
    "deltag_int1",
    "deltag_int1b",
    "deltag_int2",
    "deltag_int3",
    "deltag_product",
    "deltag_ts1",
    "deltag_ts2",
    "deltag_ts3",
    "int2_g",
    "percentage_ee",
    "percentage_yield",
    "reaction_time",
    "suba_g",
    "subb_g",
    "temperature",
]


@overload
def load_dataset(
    subset: Literal["fragflp"],
    *,
    include: Sequence[Include] = ...,
    data_format: DataFormat | str = ...,
    include_structures: bool = ...,
    molecule_properties: Sequence[str] | None = ...,
    reaction_properties: Sequence[str] | None = ...,
    fragment_properties: Sequence[fragflp_fragment_property] | None = ...,
    cache_dir: str | Path | None = ...,
    force_download: bool = ...,
) -> SubsetData[
    dict[str, Value],
    dict[str, Value],
    _sub_fragflp.FragmentProps,
    Literal["backbone", "backbone_substituent", "lewis_acid_aryl", "lewis_base"],
    _sub_fragflp.AssemblyTemplates,
]: ...


@overload
def load_dataset(
    subset: Literal["oscar_nhc"],
    *,
    include: Sequence[Include] = ...,
    data_format: DataFormat | str = ...,
    include_structures: bool = ...,
    molecule_properties: Sequence[oscar_nhc_molecule_property] | None = ...,
    reaction_properties: Sequence[str] | None = ...,
    fragment_properties: Sequence[str] | None = ...,
    cache_dir: str | Path | None = ...,
    force_download: bool = ...,
) -> SubsetData[
    _sub_oscar_nhc.MoleculeProps,
    dict[str, Value],
    dict[str, Value],
    str | None,
    dict[str, object],
]: ...


@overload
def load_dataset(
    subset: Literal["pictet_spengler"],
    *,
    include: Sequence[Include] = ...,
    data_format: DataFormat | str = ...,
    include_structures: bool = ...,
    molecule_properties: Sequence[pictet_spengler_molecule_property] | None = ...,
    reaction_properties: Sequence[pictet_spengler_reaction_property] | None = ...,
    fragment_properties: Sequence[str] | None = ...,
    cache_dir: str | Path | None = ...,
    force_download: bool = ...,
) -> SubsetData[
    _sub_pictet_spengler.MoleculeProps,
    _sub_pictet_spengler.ReactionProps,
    dict[str, Value],
    str | None,
    dict[str, object],
]: ...


@overload
def load_dataset(
    subset: str,
    *,
    include: Sequence[Include] = ...,
    data_format: DataFormat | str = ...,
    include_structures: bool = ...,
    molecule_properties: Sequence[str] | None = ...,
    reaction_properties: Sequence[str] | None = ...,
    fragment_properties: Sequence[str] | None = ...,
    cache_dir: str | Path | None = ...,
    force_download: bool = ...,
) -> SubsetData: ...




def load_dataset(subset: str, **kwargs: object) -> SubsetData:  # type: ignore[misc]
    from .client import _load_dataset_impl

    return _load_dataset_impl(subset, **kwargs)  # type: ignore[arg-type]