moleculeresolver.services.base

Classes

ServiceSearchResult	Normalized single-service search result consumed by MoleculeResolver.
ServiceAdapter	Contract for a resolver service adapter.

Module Contents

class moleculeresolver.services.base.ServiceSearchResult

Normalized single-service search result consumed by MoleculeResolver.

molecule: moleculeresolver.molecule.Molecule

mode_used: str

identifier_used: str

additional_information: str | None

current_service: str

synonyms: list[str]

cas: set[str]

class moleculeresolver.services.base.ServiceAdapter

Bases: abc.ABC

Contract for a resolver service adapter.

name: str

resolve(resolver: moleculeresolver.moleculeresolver.MoleculeResolver, flattened_identifiers: list[str], flattened_modes: list[str], required_formula: str | None, required_charge: int | None, required_structure_type: str | None) → ServiceSearchResult | None

Resolve by trying each identifier/mode pair in order.

abstractmethod resolve_one(resolver: moleculeresolver.moleculeresolver.MoleculeResolver, identifier: str, mode: str, required_formula: str | None, required_charge: int | None, required_structure_type: str | None) → ServiceSearchResult | None

Resolve one identifier/mode pair for this adapter or return None.