INNER CODE UNIT · Python

__init__

Electrostatics/pdb2pqr · pdb2pqr/hydrogens/__init__.py:90

    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 = []
        self.atomlist = []
        self.resmap = {}
        self.hydrodefs = []
        self.map = handler.map

    def switchstate(self, states, amb, state_id):
        """Switch a residue to a new state by first removing all hydrogens.

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