/* $RCSfile$ * $Author$ * $Date$ * $Revision$ * * 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; import org.openscience.cdk.interfaces.IAtom; /** * @cdk.module isomorphism * @cdk.githash */ public class SymbolAndChargeQueryAtom extends org.openscience.cdk.Atom implements IQueryAtom { private static final long serialVersionUID = 3328313175614956150L; public SymbolAndChargeQueryAtom() {} public SymbolAndChargeQueryAtom(IAtom atom) { super(atom.getSymbol()); setFormalCharge(atom.getFormalCharge()); } public void setOperator(String str){} public boolean matches(IAtom atom) { int requiredCharge = this.getFormalCharge() == null ? 0 : this.getFormalCharge(); int foundCharge = atom.getFormalCharge() == null ? 0 : atom.getFormalCharge(); return this.getSymbol().equals(atom.getSymbol()) && requiredCharge == foundCharge; }; public String toString() { StringBuffer s = new StringBuffer(); s.append("SymbolAndChargeQueryAtom("); s.append(this.hashCode() + ", "); s.append(getSymbol() + ", "); s.append(getFormalCharge()); s.append(")"); return s.toString(); } }