Typing

moll.typing.FingerprintLiteral module-attribute

FingerprintLiteral = Literal['morgan']

moll.typing.Indexable

Bases: Protocol[T]

Protocol for objects that can be accessed by index or slice.

moll.typing.OneOrMany module-attribute

OneOrMany: TypeAlias = T | Iterable[T]

moll.typing.PathLike module-attribute

PathLike: TypeAlias = str | Path

moll.typing.PotentialFnCallable module-attribute

PotentialFnCallable: TypeAlias = Callable[[float], ArrayLike]

moll.typing.PotentialFnLiteral module-attribute

PotentialFnLiteral = Literal['hyperbolic', 'exp', 'lj', 'log']

moll.typing.RDKitAtom module-attribute

RDKitAtom: TypeAlias = Atom

moll.typing.RDKitMol module-attribute

RDKitMol: TypeAlias = Mol

moll.typing.SMILES module-attribute

SMILES: TypeAlias = str

moll.typing.SimilarityFnCallable module-attribute

SimilarityFnCallable: TypeAlias = Callable[[Array, Array], ArrayLike]

moll.typing.SimilarityFnLiteral module-attribute

SimilarityFnLiteral = Literal[
    "euclidean", "manhattan", "one_minus_tanimoto", "mismatches", "negative_cosine"
]