org.openscience.cdk.atomtype

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:

master

Belongs to CDK module:

core

Created on:

2006-09-22

Method Summary

Methods

Modifier and Type	Method and Description
List<IAtomType>	possibleAtomTypes(IAtomContainer container, IAtom atom) Method that returns an iterator with a suitable list of atom types given the provided atom.

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