/* $Revision$ $Author$ $Date$
*
* Copyright (C) 2004-2007 The Chemistry Development Kit (CDK) project
*
* This library 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 library 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 library; if not, write to the Free Software
* Foundation, 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
* (or see http://www.gnu.org/copyleft/lesser.html)
*/
package org.openscience.cdk.isomorphism.matchers.smarts;
import java.util.Collections;
import java.util.List;
import org.openscience.cdk.CDKConstants;
import org.openscience.cdk.interfaces.IAtom;
/**
* This smarts atom matches any atom with the smallest SSSR size being a
* certain value.
*
* @cdk.module smarts
* @cdk.githash
* @cdk.keyword SMARTS
*/
public class SmallestRingAtom extends SMARTSAtom {
private static final long serialVersionUID = 8201040824866400163L;
/**
* The size of the smallest SSSR
*/
private int smallestRingSize;
public SmallestRingAtom(int size) {
this.smallestRingSize = size;
}
public boolean matches(IAtom atom) {
if (atom.getFlag(CDKConstants.ISINRING)) {
List<Integer> rings = (List<Integer>) atom
.getProperty(CDKConstants.RING_SIZES);
if (rings == null || rings.size() == 0) {
return false;
}
Collections.sort(rings);
if ((rings.get(0)).intValue() == smallestRingSize) {
return true;
}
}
return false;
}
}