atomicnumberatom.java

化学图形处理软件

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 *  Copyright (C) 2002-2006  The Chemistry Development Kit (CDK) project
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package org.openscience.cdk.isomorphism.matchers.smarts;

import org.openscience.cdk.interfaces.IAtom;

/**
 * It matches an atom using the atomic number
 *
 * @author Dazhi Jiao
 * @cdk.created 2007-05-10
 * @cdk.module smarts
 * @cdk.keyword SMARTS AST
 */
public class AtomicNumberAtom extends SMARTSAtom {
	private static final long serialVersionUID = 4811205092161793129L;
	private int atomicNumber;
	
	public AtomicNumberAtom(int atomicNumber) {
		this.atomicNumber = atomicNumber;
	}
	
    public boolean matches(IAtom atom) {
    	// TODO: this is just a hack for a few
    	if (atom.getAtomicNumber() != 0) {
            return (atom.getAtomicNumber() == atomicNumber);
    	} 
    	if (atom.getSymbol().equals("C")) {
    		return atomicNumber == 6;
    	} else if (atom.getSymbol().equals("O")) {
    		return atomicNumber == 8;
    	} else if (atom.getSymbol().equals("N")) {
    		return atomicNumber == 7;
    	}
    	return false;
    }
}