/* $Revision$ $Author$ $Date$
*
* Copyright (C) 2005-2007 Matteo Floris <mfe4@users.sf.net>
* 2008 Egon Willighagen <egonw@users.sf.net>
*
* Contact: cdk-devel@lists.sourceforge.net
*
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public License
* as published by the Free Software Foundation; either version 2.1
* of the License, or (at your option) any later version.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU Lesser General Public License for more details.
*
* You should have received a copy of the GNU Lesser General Public License
* along with this program; if not, write to the Free Software
* Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
*/
package org.openscience.cdk.atomtype;
import org.openscience.cdk.exception.CDKException;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.IAtomType;
/**
* Classes that implement this interface are atom type matchers. They find the
* most appropriate AtomType matching the given Atom in a given atom type list.
*
* @author mfe4
* @cdk.created 2004-12-02
* @cdk.module core
* @cdk.githash
*
* @see IAtomTypeGuesser
*/
public interface IAtomTypeMatcher {
/**
* Method that assigns an atom type to a given atom belonging to an atom
* container.
*
* @param container AtomContainer of which the <code>atom</code> is part
* @param atom Atom for which a matching atom type is searched
* @return The matching AtomType
* @throws CDKException when something went wrong with going through
* the AtomType's
*/
public IAtomType findMatchingAtomType(IAtomContainer container, IAtom atom) throws CDKException;
/**
* Method that assigns atom types to atoms in the given atom container.
*
* @param container AtomContainer for which atom types are perceived
* @return The matching AtomType
* @throws CDKException when something went wrong with going through
* the AtomType's
*/
public IAtomType[] findMatchingAtomType(IAtomContainer container) throws CDKException;
}