autofragment.algorithms.geometric

Geometric plane-based partitioning for molecular clusters.

This module provides geometric partitioning based on planes through the cluster center, useful for symmetric systems like water clusters.

Functions

find_center(coords[, method])

Find the center of the cluster.

partition_by_planes(coords, n_groups[, ...])

Partition coordinates into groups using angular slices.

partition_by_planes_tiered(coords, n_primary)

Partition coordinates into hierarchical regions using geometric planes.