autofragment.partitioners.topology

Topology-based neighborhood selection utilities.

This module provides reusable atom-neighborhood selection based on bond-topology shells (graph hops) and Euclidean nearest-neighbor layers.

Classes

ShellSelectionResult(selected_atoms, shells)	Selected atoms and per-layer shell decomposition.
TopologyNeighborSelection(seed_atoms[, ...])	Reusable topology/neighbor shell selection configuration.