[Cdk-commits] CVS: cdk/src/org/openscience/cdk/test/io ShelXReaderTest.java,NONE,1.1 IOTests.java,1.13,1.14

[Egon W. <eg...@us...>]

Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/test/io
In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv21512/src/org/openscience/cdk/test/io

Modified Files:
	IOTests.java 
Added Files:
	ShelXReaderTest.java 
Log Message:
Added a test for the ShelXReader

--- NEW FILE: ShelXReaderTest.java ---
/* $RCSfile: ShelXReaderTest.java,v $
 * $Author: egonw $
 * $Date: 2004/01/30 15:50:02 $
 * $Revision: 1.1 $
 *
 * Copyright (C) 2004  The Chemistry Development Kit (CDK) project
 * 
 * Contact: cdk...@li...
 * 
 * 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., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
 *  */
package org.openscience.cdk.test.io;

import org.openscience.cdk.*;
import org.openscience.cdk.io.*;
import org.openscience.cdk.geometry.*;
import java.io.*;
import junit.framework.*;

public class ShelXReaderTest extends TestCase {

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

    public ShelXReaderTest(String name) {
        super(name);
        logger = new org.openscience.cdk.tools.LoggingTool(this.getClass().getName());
    }

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

    public void testReading() {
        String filename = "data/frame_1.res";
        logger.info("Testing: " + filename);
        InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filename);
        try {
            ShelXReader reader = new ShelXReader(new InputStreamReader(ins));
            Crystal crystal = (Crystal)reader.read(new Crystal());
            assertNotNull(crystal);
            assertEquals(42, crystal.getAtomCount());
            double notional[] = CrystalGeometryTools.cartesianToNotional(
                crystal.getA(),
                crystal.getB(),
                crystal.getC()
            );
            assertEquals(7.97103, notional[0], 0.001);
            assertEquals(18.77220, notional[1], 0.001);
            assertEquals(10.26222, notional[2], 0.001);
            assertEquals(90.0000, notional[3], 0.001);
            assertEquals(90.0000, notional[4], 0.001);
            assertEquals(90.0000, notional[5], 0.001);
        } catch (Exception e) {
            fail(e.toString());
        }
    }
}

Index: IOTests.java
===================================================================
RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/test/io/IOTests.java,v
retrieving revision 1.13
retrieving revision 1.14
diff -u -r1.13 -r1.14
--- IOTests.java	27 Jan 2004 21:34:31 -0000	1.13
+++ IOTests.java	30 Jan 2004 15:50:02 -0000	1.14
@@ -44,6 +44,7 @@
         suite.addTest(SMILESReaderTest.suite());
         suite.addTest(HINReaderTest.suite());
         suite.addTest(GhemicalReaderTest.suite());
+        suite.addTest(ShelXReaderTest.suite());
         /* suite.addTest(ZMatrixReaderTest.suite()); This is not a JUnit test yet! */
         
         suite.addTest(ReaderFactoryTest.suite());