cifkit.coordination.geometry module

cifkit.coordination.geometry.compute_polyhedron_metrics(polyhedron_points, hull)[source]: Compute various metrics related to a given polyhedron.

cifkit.coordination.geometry.get_polyhedron_coordinates_labels(connections: dict, label: str) → tuple[list[list[float]], list[str]][source]

Return a list of Cartesian coordinates and labels.

The central atom is the last index.