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* Copyright (C) 2002-2006 The Chemistry Development Kit (CDK) project
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* Contact: cdk-devel@lists.sourceforge.net
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* This program is free software; you can redistribute it and/or
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* modify it under the terms of the GNU Lesser General Public License
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* as published by the Free Software Foundation; either version 2.1
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* of the License, or (at your option) any later version.
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* All I ask is that proper credit is given for my work, which includes
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* - but is not limited to - adding the above copyright notice to the beginning
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* of your source code files, and to any copyright notice that you may distribute
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* with programs based on this work.
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* This program is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU Lesser General Public License for more details.
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* You should have received a copy of the GNU Lesser General Public License
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* along with this program; if not, write to the Free Software
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* Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
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package org.openscience.cdk.isomorphism.matchers.smarts;
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import org.openscience.cdk.interfaces.IAtom;
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* It matches an atom using the atomic number
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* @cdk.created 2007-05-10
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* @cdk.keyword SMARTS AST
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public class AtomicNumberAtom extends SMARTSAtom {
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private static final long serialVersionUID = 4811205092161793129L;
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private int atomicNumber;
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public AtomicNumberAtom(int atomicNumber) {
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this.atomicNumber = atomicNumber;
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public boolean matches(IAtom atom) {
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// TODO: this is just a hack for a few
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if (atom.getAtomicNumber() != 0) {
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return (atom.getAtomicNumber() == atomicNumber);
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if (atom.getSymbol().equals("C")) {
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return atomicNumber == 6;
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} else if (atom.getSymbol().equals("O")) {
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return atomicNumber == 8;
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} else if (atom.getSymbol().equals("N")) {
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return atomicNumber == 7;