Source code for pdb2pqr.ligand.topology

"""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()