MCSBatchResult

class nvmolkit.mcs.MCSBatchResult(

pairs: tuple[tuple[int, int], ...],

mode: str,

num_atoms: ndarray,

num_bonds: ndarray,

canceled: ndarray,

atom_mapping: ndarray,

atom_mapping_indptr: ndarray,

bond_mapping: ndarray,

bond_mapping_indptr: ndarray,

)

Flat batch of MCS results in generated-pair order.

get_result(pair_idx: int) → MCSResult

Return a materialized result object for one generated pair.