"""Ligand topology classes.""" import logging _LOGGER = logging.getLogger(__name__) [docs]class Topology: """Ligand topology class.""" [docs] def __init__(self, molecule): """Initialize with molecule. :param molecule: Mol2Molecule object :type molecule: Mol2Molecule """ self.atom_dict = {} for atom in molecule.atoms: self.atom_dict[atom.name] = atom raise NotImplementedError()