/* $RCSfile$ * $Author$ * $Date$ * $Revision$ * * Copyright (C) 2004-2007 The Chemistry Development Kit (CDK) project * * 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.isomorphism.matchers.smarts; import org.openscience.cdk.CDKConstants; import org.openscience.cdk.interfaces.IAtom; /** * This matcher checks the formal charge of the Atom. This cannot be matched * with a unpreprocessed Atom! * * @cdk.module smarts * @cdk.githash * @cdk.keyword SMARTS */ public class TotalHCountAtom extends SMARTSAtom { private static final long serialVersionUID = -3532280322660394553L; public TotalHCountAtom(int hCount) { setProperty(CDKConstants.TOTAL_H_COUNT, hCount); } public int getHC(IAtom atom) { return (Integer)atom.getProperty(CDKConstants.TOTAL_H_COUNT); } public boolean matches(IAtom atom) { return getHC(atom) == getHC(this); } public String toString() { StringBuffer s = new StringBuffer(); s.append("TotalHCountAtom("); s.append(this.hashCode() + ", "); s.append("HC:" + getHC(this)); s.append(")"); return s.toString(); } }