moleculeresolver.resolution.evidence¶

Classes¶

`CandidateEvidence`	Evidence and scoring payload for one candidate structure group.
`ResolutionResult`	Extended result payload for include_evidence=True requests.

Module Contents¶

class moleculeresolver.resolution.evidence.CandidateEvidence¶

Evidence and scoring payload for one candidate structure group.

smiles: str¶

service_agreement_count: int¶

service_names: list[str]¶

identifiers: list[str]¶

identifier_concordance_count: int¶

synonym_overlap_count: int = 0¶

score_breakdown: dict[str, int]¶

total_score: int = 0¶

class moleculeresolver.resolution.evidence.ResolutionResult¶

Extended result payload for include_evidence=True requests.

best_molecule: Molecule | None¶

ranked_candidates: list[CandidateEvidence]¶

grouped_by_structure: dict[str, list[moleculeresolver.molecule.Molecule]]¶

selected_smiles: str | None¶

selection_reason: str¶