Reader Utilities

This module contains utility functions for Dataset objects.

dipm.data.chemical_datasets.utils.filter_broken_system_and_get_stats(chemical_system: ChemicalSystem, cutoff: float, max_neighbours: int = None, max_set: set = None, max_num_nodes: int | None = None, max_total_edges: int | None = None, calc_stats: bool = False, calc_part: bool = False, calc_spices: bool = False) → dict[str, ndarray | float | int] | None

Filter out (return None) graph if it is empty, too large, or contain unseen elements, and return its statistics.