skills/retrosynthesis_planning/route_review.py

• _children · function · L13-L19 — def _children(node: Any) -> list[dict[str, Any]]
• _node_kind · function · L22-L26 — def _node_kind(node: Mapping[str, Any]) -> str
• _safe_canonicalize · function · L32-L39 — def _safe_canonicalize(smiles: Any, canonicalizer: Canonicalizer | None = None) -> str
• _reaction_descriptor · function · L42-L76 — def _reaction_descriptor( node: Mapping[str, Any], product_smiles: str | None, canonicalizer: Canonicalizer | None = None, ) -> dict[str, Any]
• _iter_reactions · function · L79-L98 — def _iter_reactions( node: Any, *, product_smiles: str | None = None, path: tuple[int, ...] = (), ) -> Iterator[tuple[dict[str, Any], str | None, tuple[int, ...]]]
• _iter_molecules · function · L101-L110 — def _iter_molecules( node: Any, *, path: tuple[int, ...] = () ) -> Iterator[tuple[dict[str, Any], tuple[int, ...]]]
• _route_tree · function · L113-L115 — def _route_tree(route: Mapping[str, Any]) -> dict[str, Any]
• route_signature · function · L118-L145 — def route_signature( route: Mapping[str, Any], *, canonicalizer: Canonicalizer | None = None ) -> str
• deduplicate_routes · function · L148-L171 — def deduplicate_routes( routes: Iterable[Mapping[str, Any]], ) -> list[dict[str, Any]]
• _route_feature_set · function · L174-L192 — def _route_feature_set( route: Mapping[str, Any], canonicalizer: Canonicalizer | None = None ) -> set[str]
• route_feature_set · function · L195-L200 — def route_feature_set( route: Mapping[str, Any], *, canonicalizer: Canonicalizer | None = None ) -> frozenset[str]
• _jaccard · function · L203-L207 — def _jaccard(left: set[str], right: set[str]) -> float
• route_similarity · function · L210-L228 — def route_similarity( left: Mapping[str, Any], right: Mapping[str, Any], *, canonicalizer: Canonicalizer | None = None, ) -> float
• select_diverse_routes · function · L231-L281 — def select_diverse_routes( routes: Iterable[Mapping[str, Any]], *, max_routes: int = 10, similarity_threshold: float = 0.85, fill_to_limit: bool = True, ) -> list[dict[str, Any]]