Interface IAtomTypeGuesser

  • All Known Implementing Classes:
    StructGenAtomTypeGuesser

    public interface IAtomTypeGuesser
    Classes that implement this interface are atom type guessers. As compared to the IAtomTypeMatcher, this guesser has room for missing information. Not uncommonly, one bit of information is missing.
    Author:
    egonw
    See Also:
    IAtomTypeMatcher
    Source code:
    main
    Belongs to CDK module:
    core
    Created on:
    2006-09-22
    • Method Detail

      • possibleAtomTypes

        List<IAtomType> possibleAtomTypes​(IAtomContainer container,
                                          IAtom atom)
                                   throws CDKException
        Method that returns an iterator with a suitable list of atom types given the provided atom.
        Parameters:
        container - AtomContainer of which the atom is part
        atom - Atom for which a matching atom type is searched
        Returns:
        The matching AtomTypes
        Throws:
        CDKException - when something went wrong with going through the AtomType's