Interface IAtomTypeMatcher

    • Method Detail

      • findMatchingAtomType

        IAtomType findMatchingAtomType​(IAtomContainer container,
                                       IAtom atom)
                                throws CDKException
        Method that assigns an atom type to a given atom belonging to an atom container.
        Parameters:
        container - AtomContainer of which the atom is part
        atom - Atom for which a matching atom type is searched
        Returns:
        The matching AtomType
        Throws:
        CDKException - when something went wrong with going through the AtomType's
      • findMatchingAtomTypes

        IAtomType[] findMatchingAtomTypes​(IAtomContainer container)
                                   throws CDKException
        Method that assigns atom types to atoms in the given atom container.
        Parameters:
        container - AtomContainer for which atom types are perceived
        Returns:
        The matching AtomType
        Throws:
        CDKException - when something went wrong with going through the AtomType's