/* $Revision$ $Author$ $Date$
*
* Copyright (C) 2005-2007 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.
* All we ask is that proper credit is given for our work, which includes
* - but is not limited to - adding the above copyright notice to the beginning
* of your source code files, and to any copyright notice that you may distribute
* with programs based on this work.
*
* 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.fingerprint;
import java.util.BitSet;
import org.openscience.cdk.exception.CDKException;
import org.openscience.cdk.interfaces.IAtomContainer;
/**
* Interface for fingerprint calculators.
*
* @author egonw
* @cdk.keyword fingerprint
* @cdk.module core
* @cdk.githash
*/
public interface IFingerprinter {
/**
* Returns the fingerprint for the given IAtomContainer.
*
* @param container IAtomContainer for which the fingerprint should be calculated.
* @return the fingerprint
* @throws CDKException TODO
*/
public BitSet getFingerprint(IAtomContainer container) throws CDKException;
/**
* Returns the size of the fingerprints calculated.
*
* @return the size of the fingerprint
*/
public int getSize();
}