xyzwritertest.java

化学图形处理软件

/* $Revision: 7001 $ $Author: kaihartmann $ $Date: 2006-09-20 21:12:37 +0200 (Wed, 20 Sep 2006) $
 *
 * Copyright (C) 2006-2007  Egon Willighagen <[e-mail]>
 * 
 * Contact: [e-mail]
 * 
 * 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.
 * All we ask is that proper credit is given for our work, which includes
 * - but is not limited to - adding the above copyright notice to the beginning
 * of your source code files, and to any copyright notice that you may distribute
 * with programs based on this work.
 * 
 * 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.test.io;

import java.io.BufferedReader;
import java.io.StringReader;
import java.io.StringWriter;

import javax.vecmath.Point3d;

import junit.framework.Test;
import junit.framework.TestSuite;

import org.openscience.cdk.Atom;
import org.openscience.cdk.Molecule;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.io.XYZWriter;
import org.openscience.cdk.test.CDKTestCase;
import org.openscience.cdk.tools.LoggingTool;

/**
 * TestCase for the writer XYZ files using one test file.
 *
 * @cdk.module test-io
 *
 * @see org.openscience.cdk.io.XYZWriter
 */
public class XYZWriterTest extends CDKTestCase {

    private org.openscience.cdk.tools.LoggingTool logger;

    public XYZWriterTest(String name) {
        super(name);
        logger = new LoggingTool(this);
    }

    public static Test suite() {
        return new TestSuite(XYZWriterTest.class);
    }

    public void testAccepts() throws Exception {
    	XYZWriter reader = new XYZWriter();
    	assertTrue(reader.accepts(Molecule.class));
    }

    public void testWriting() throws Exception {
        StringWriter writer = new StringWriter();
        Molecule molecule = new Molecule();
        IAtom atom1 = new Atom("C");
        atom1.setPoint3d(new Point3d(1.0, 2.0, 3.0));
        IAtom atom2 = new Atom("C");
        atom2.setPoint3d(new Point3d(1.0, 2.0, 3.0));
        molecule.addAtom(atom1);
        molecule.addAtom(atom2);
        
        XYZWriter xyzWriter = new XYZWriter(writer);
        xyzWriter.write(molecule);
        xyzWriter.close();
        writer.close();
        
        String output = writer.toString();
//        logger.debug(output);
        // count lines
        int lineCount = 0;
        BufferedReader reader = new BufferedReader(
        	new StringReader(output)
        );
        while (reader.readLine() != null) lineCount++;
        assertEquals(4, lineCount);
    }

}