INNER CODE UNIT · Python

HydrogenRoutines

Electrostatics/pdb2pqr · pdb2pqr/hydrogens/__init__.py:83

class HydrogenRoutines:
    """The main routines for hydrogen optimization.

    .. todo::
       This class really needs to be refactored.
    """

    def __init__(self, debumper, handler):
        """Initialize object.

        :param debumper:  Debump object
        :type debumper:  debump.Debump
        :param handler:  HydrogenHandler object
        :type handler:  HydrogenHandler
        """
        self.debumper = debumper
        self.biomolecule = debumper.biomolecule
        self.optlist = []

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