/* $Revision$ $Author$ $Date$
*
* 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 org.openscience.cdk.CDKConstants;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IRingSet;
/**
* This query atom matches any atom with a certain number of SSSR.
*
* @cdk.module smarts
* @cdk.githash
* @cdk.keyword SMARTS
*/
public class RingMembershipAtom extends SMARTSAtom {
private static final long serialVersionUID = -7963168231557641862L;
/**
* Number of SSSR
*/
private int numSSSR;
public RingMembershipAtom(int num) {
this.numSSSR = num;
}
/* (non-Javadoc)
* @see org.openscience.cdk.isomorphism.matchers.smarts.SMARTSAtom#matches(org.openscience.cdk.interfaces.IAtom)
*/
public boolean matches(IAtom atom) {
if (atom.getFlag(CDKConstants.ISINRING)) {
IRingSet ringSet = (IRingSet)atom.getProperty(CDKConstants.SMALLEST_RINGS);
return ringSet.getAtomContainerCount() == numSSSR;
} else {
if (numSSSR == 0) return true;
}
return false;
}
}