[Jmol-commits] CVS: Jmol/source-tests/org/openscience/jmol AtomTypeSetTest.java,NONE,1.1 AtomTypeTes

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Update of /cvsroot/jmol/Jmol/source-tests/org/openscience/jmol
In directory usw-pr-cvs1:/tmp/cvs-serv29277/source-tests/org/openscience/jmol

Added Files:
	AtomTypeSetTest.java AtomTypeTest.java AtomTypesModelTest.java 
	BaseAtomTypeTest.java Gaussian98ReaderTest.java JmolTests.java 
	SharcReaderTest.java Test-g98.out Tests.java 
Log Message:
Reorganized development structure:
Separated tests into a parallel source directory (source-tests).
Collected generated files and other build output to build directory.

--- NEW FILE: AtomTypeSetTest.java ---

/*
 * Copyright 2001 The Jmol Development Team
 *
 *  This library 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 library 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 library; if not, write to the Free Software
 *  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA
 *  02111-1307  USA.
 */
package org.openscience.jmol;

import java.awt.Color;
import junit.framework.TestSuite;
import junit.framework.Assert;
import junit.framework.TestCase;
import junit.framework.Test;
import java.io.IOException;
import java.util.Hashtable;

/**
 * Unit tests for the AtomTypeSet class.
 */
public class AtomTypeSetTest extends TestCase {

  /**
   * Creates a Test for the given method.
   */
  public AtomTypeSetTest(String name) {
    super(name);
  }

  /**
   * Fixture for testing empty AtomTypeSet objects.
   */
  AtomTypeSet ats1;

  /**
   * Fixture for testing AtomTypeSet objects loaded with AtomTypes.
   */
  AtomTypeSet ats2;

  /**
   * BaseAtomType fixture for loading into AtomTypeSets.
   */
  BaseAtomType at1;

  /**
   * Set up for testing.
   */
  public void setUp() {

    ats1 = new AtomTypeSet();
    at1 = BaseAtomType.get("type1", "root1", 0, 0.0, 0.0, 0.0,
        new Color(0, 0, 0));
    ats2 = new AtomTypeSet();
    assertTrue("setUp failed", ats2.add(at1));
  }

  /**
   * Test the isEmpty method.
   * Expect true for ats1 and false for ats2.
   */
  public void testIsEmpty() {
    assertTrue(ats1.isEmpty());
    assertTrue(!ats2.isEmpty());
  }

  /**
   * Test the add method.
   */
  public void testAdd() {

    assertEquals(0, ats1.size());
    assertTrue(ats1.add(at1));
    assertEquals(1, ats1.size());
    assertTrue(!ats1.add(at1));
    assertEquals(1, ats1.size());
  }

  /**
   * Test the load method.
   */
  public void testLoad() {

    try {
      ats1.load(getClass().getResourceAsStream("Data/AtomTypes"));
      assertTrue(ats1.size() > 100);
      assertTrue(ats1.contains(BaseAtomType.get("CAR")));
    } catch (IOException ex) {
      fail("load failed: " + ex.toString());
    }
  }

  /**
   * Returns a Test containing all the tests.
   */
  public static Test suite() {
    TestSuite suite = new TestSuite(AtomTypeSetTest.class);
    return suite;
  }
}

--- NEW FILE: AtomTypeTest.java ---

/*
 * Copyright 2001 The Jmol Development Team
 *
 *  This library 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 library 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 library; if not, write to the Free Software
 *  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA
 *  02111-1307  USA.
 */
package org.openscience.jmol;

import junit.framework.TestSuite;
import junit.framework.Assert;
import junit.framework.TestCase;
import junit.framework.Test;

/**
 * Unit tests for the AtomType class.
 */
public class AtomTypeTest extends TestCase {

  /**
   * Creates a Test for the given method.
   */
  public AtomTypeTest(String name) {
    super(name);
  }

  /**
   * AtomType fixture.
   */
  AtomType at1;

  /**
   * AtomType fixture.
   */
  AtomType at2;

  /**
   * Set up for testing.
   */
  public void setUp() {
    at1 = new AtomType("type1", "root1", 1, 1.1, 2.2, 3.3, 4, 5, 6);
    at2 = new AtomType("type2", "root2", 0, 0.0, 0.0, 0.0, 0, 0, 0);
  }

  /**
   * Test the constructors.
   */
  public void testConstructors() {
    assertEquals(BaseAtomType.get("type1"), at1.getBaseAtomType());
    assertEquals(BaseAtomType.get("type2"), at2.getBaseAtomType());
  }

  /**
   * Returns a Test containing all the tests.
   */
  public static Test suite() {
    TestSuite suite = new TestSuite(AtomTypeTest.class);
    return suite;
  }
}

--- NEW FILE: AtomTypesModelTest.java ---

/*
 * Copyright 2001 The Jmol Development Team
 *
 *  This library 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 library 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 library; if not, write to the Free Software
 *  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA
 *  02111-1307  USA.
 */
package org.openscience.jmol;

import java.awt.Color;
import junit.framework.TestSuite;
import junit.framework.Assert;
import junit.framework.TestCase;
import junit.framework.Test;
import java.util.Enumeration;
import java.util.NoSuchElementException;

/**
 * Unit tests for the AtomTypesModel class.
 */
public class AtomTypesModelTest extends TestCase {

  /**
   * Creates a Test for the given method.
   */
  public AtomTypesModelTest(String name) {
    super(name);
  }

  /**
   * Fixture for testing empty AtomTypesModel objects.
   */
  AtomTypesModel atm1;

  /**
   * Fixture for testing AtomTypesModel objects loaded with AtomTypes.
   */
  AtomTypesModel atm2;

  /**
   * AtomType fixture for loading into AtomTypesModels.
   */
  BaseAtomType at1;

  /**
   * Set up for testing.
   */
  public void setUp() {

    atm1 = new AtomTypesModel();
    at1 = BaseAtomType.get("type1", "root1", 0, 0.0, 0.0, 0.0,
        new Color(0, 0, 0));
    atm2 = new AtomTypesModel();
    atm2.updateAtomType(at1);
  }

  /**
   * Test the getColumnName method.
   * Expect appropriate strings for valid indexes and null for all else.
   */
  public void testGetColumnName() {

    assertEquals("Atom Type", atm1.getColumnName(0));
    assertEquals("Atomic\nNumber", atm1.getColumnName(2));
    assertEquals("Color", atm1.getColumnName(6));
    assertEquals(null, atm1.getColumnName(-1));
    assertEquals(null, atm1.getColumnName(20));
  }

  /**
   * Test the get method.
   * Expect appropriate strings for valid indexes and null for all else.
   */
  public void testGet() {

    assertEquals(null, atm1.get("test"));
    assertEquals(null, atm1.get(5));
    assertEquals(null, atm1.get(-1));
    assertEquals(null, atm1.get(null));
    assertEquals(null, atm2.get(null));
    assertEquals("failed get(0)", at1, atm2.get(0));
    assertEquals("failed get(type1)", at1, atm2.get("type1"));
  }

  /**
   * Test the elements method.
   * Expect list of atom types.
   */
  public void testElements() {

    Enumeration types = atm1.elements();
    assertTrue("hasMoreElements() failed", false == types.hasMoreElements());

    Enumeration types2 = atm2.elements();
    assertTrue("hasMoreElements() failed", true == types2.hasMoreElements());
    assertEquals("first nextElement() failed", at1, types2.nextElement());
    assertTrue("hasMoreElements() failed", false == types2.hasMoreElements());
    try {
      types2.nextElement();
      fail("no exception thrown at end of elements");
    } catch (NoSuchElementException ex) {
    }
  }

  /**
   * Test updateAtomType method.
   * Expect addition of AtomType if not already in model (based upon name), and
   * replacement of AtomType if name already in model.
   */
  public void testUpdateAtomType() {

    atm1.updateAtomType(at1);
    assertEquals(at1, atm1.get(0));
    assertEquals(null, atm1.get("root1"));
    assertEquals(at1, atm1.get("type1"));

    BaseAtomType tmpAt1 = BaseAtomType.get("temp type", "type1", 0, 0.0, 0.0,
                            0.0, new Color(0, 0, 0));
    atm1.updateAtomType(tmpAt1);
    assertEquals(at1, atm1.get(0));
    assertEquals(tmpAt1, atm1.get("temp type"));
    assertEquals(at1, atm1.get("type1"));

    BaseAtomType at1Replace = BaseAtomType.get("type1", "root2", 1, 0.0, 0.0,
                                0.0, new Color(0, 0, 0));
    atm2.updateAtomType(at1Replace);
    assertEquals(null, atm2.get(0));
    assertEquals(at1Replace, atm2.get(1));
    assertEquals(at1Replace, atm2.get("type1"));
    assertEquals("root2", atm2.get(1).getRoot());
  }

  /**
   * Test setValueAt method.
   * Expect exceptions if range or object class incorrect.
   * Expect set of BaseAtomType values if correct parameters, except for name.
   */
  public void testSetValueAt() {

    try {
      atm1.setValueAt("test", 0, 0);
      fail("exception not thrown on out of range index");
    } catch (ArrayIndexOutOfBoundsException ex) {
    }
    atm2.setValueAt("test", 0, 1);
    assertEquals("test", atm2.get(0).getRoot());
    try {
      atm2.setValueAt(new Integer(0), 0, 1);
      fail("exception not thrown on invalid class");
    } catch (ClassCastException ex) {
    }
  }

  /**
   * Test changing BaseAtomType name with setValueAt method.
   * Expect name column to not be editable, and setValueAt on name
   * column will not change value.
   */
  public void testNameSetValueAt() {
    assertEquals("type1", atm2.get(0).getName());
    assertTrue(false == atm2.isCellEditable(0, 0));
    atm2.setValueAt("test", 0, 0);
    assertEquals("type1", atm2.get(0).getName());
  }

  /**
   * Test isCellEditable method.
   * Expect false if invalid row or column 0. Otherwise expect true.
   */
  public void testIsCellEditable() {

    assertTrue(!atm2.isCellEditable(0, 0));
    assertTrue(!atm2.isCellEditable(0, -1));
    assertTrue(!atm2.isCellEditable(0, 23));
    assertTrue(!atm2.isCellEditable(0, 0));
    assertTrue(atm2.isCellEditable(0, 1));
    assertTrue(atm2.isCellEditable(0, 2));
    assertTrue(atm2.isCellEditable(0, 3));
    assertTrue(atm2.isCellEditable(0, 5));
  }

  /**
   * Test the getValueAt method.
   * Expect appropriate object returned for values of BaseAtomType if
   * correct parameters given. Otherwise an empty String is returned.
   */
  public void testGetValueAt() {

    try {
      assertTrue(atm1.getValueAt(0, 0) instanceof String);
      assertEquals(0, ((String) atm1.getValueAt(0, 0)).length());
      assertTrue(atm2.getValueAt(0, 0) instanceof String);
      assertEquals(at1.getName(), (String) atm2.getValueAt(0, 0));
      assertTrue(atm2.getValueAt(-1, -1) instanceof String);
      assertEquals(0, ((String) atm2.getValueAt(-1, -1)).length());
    } catch (Exception ex) {
      fail(ex.toString());
    }
  }

  /**
   * Test the clear method.
   * Expect the getRowCount to always be 5 after clearing, and
   * that old atom types are not longer returned by get.
   */
  public void testClear() {

    assertEquals(5, atm2.getRowCount());
    assertEquals(at1, atm2.get("type1"));
    atm2.clear();
    assertEquals(5, atm2.getRowCount());
    assertEquals(null, atm2.get("type1"));
  }

  /**
   * Test the getColumnClass method.
   * Expected results are Integer for 2; Double for 3, 4, and 5; Color for 6;
   * and String for everything else.
   */
  public void testGetColumnClass() {
    assertEquals(Integer.class, atm1.getColumnClass(2));
    assertEquals(Double.class, atm1.getColumnClass(3));
    assertEquals(String.class, atm1.getColumnClass(1));
    assertEquals(String.class, atm1.getColumnClass(-1));
  }

  /**
   * Returns a Test containing all the tests.
   */
  public static Test suite() {
    TestSuite suite = new TestSuite(AtomTypesModelTest.class);
    return suite;
  }
}

--- NEW FILE: BaseAtomTypeTest.java ---

/*
 * Copyright 2002 The Jmol Development Team
 *
 *  This library 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 library 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 library; if not, write to the Free Software
 *  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA
 *  02111-1307  USA.
 */
package org.openscience.jmol;

import java.awt.Color;
import junit.framework.Test;
import junit.framework.TestCase;
import junit.framework.TestSuite;

/**
 * Tests for the BaseAtomType class.
 *
 * @author Bradley A. Smith (br...@ba...)
 */
public class BaseAtomTypeTest extends TestCase {

  /**
   * Creates a Test for the given method.
   */
  public BaseAtomTypeTest(String name) {
    super(name);
  }

  /**
   * BaseAtomType fixture.
   */
  BaseAtomType at1;

  /**
   * BaseAtomType fixture.
   */
  BaseAtomType at2;

  /**
   * Set up for testing.
   */
  public void setUp() {
    at1 = BaseAtomType.get("type1", "root1", 1, 1.1, 2.2, 3.3,
        new Color(4, 5, 6));
    at2 = BaseAtomType.get("type2");
  }

  /**
   * Test the constructors.
   */
  public void testConstructors() {

    assertEquals("type1", at1.getName());
    assertEquals("root1", at1.getRoot());
    assertEquals(1, at1.getAtomicNumber());
    assertTrue(1.1 == at1.getMass());
    assertTrue(2.2 == at1.getVdwRadius());
    assertTrue(3.3 == at1.getCovalentRadius());
    assertEquals(new Color(4, 5, 6), at1.getColor());
    assertEquals("type2", at2.getName());
    assertEquals(null, at2.getRoot());
    assertEquals(0, at2.getAtomicNumber());
    assertEquals(Color.white, at2.getColor());
  }

  /**
   * Returns a Test containing all the tests.
   */
  public static Test suite() {
    TestSuite suite = new TestSuite(BaseAtomTypeTest.class);
    return suite;
  }
}

--- NEW FILE: Gaussian98ReaderTest.java ---

/*
 * Copyright 2002 The Jmol Development Team
 *
 *  This library 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 library 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 library; if not, write to the Free Software
 *  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA
 *  02111-1307  USA.
 */
package org.openscience.jmol;

import com.baysmith.io.FileUtilities;
import java.io.File;
import java.io.FileReader;
import java.io.IOException;
import junit.framework.Test;
import junit.framework.TestCase;
import junit.framework.TestSuite;

/**
 * Tests for the Gaussian98Reader class.
 *
 * @author Bradley A. Smith (br...@ba...)
 */
public class Gaussian98ReaderTest extends TestCase {

  /**
   * Create a test case with given name.
   *
   * @param name this test case's name.
   */
  public Gaussian98ReaderTest(String name) {
    super(name);
  }

  /**
   * Returns a suite of tests contained in this test case.
   *
   * @return a suite of tests contained in this test case.
   */
  public static Test suite() {
    TestSuite suite = new TestSuite(Gaussian98ReaderTest.class);
    return suite;
  }

  /**
   * A reader with which to test.
   */
  Gaussian98Reader reader1;

  /**
   *  Test directory for isolating testing operations.
   */
  File testDirectory;

  /**
   * Setup fixtures.
   */
  public void setUp() {

    testDirectory = new File(getClass().getName());
    FileUtilities.deleteAll(testDirectory);
    assertTrue("Unable to create test directory \"" + testDirectory.getName()
        + "\"", testDirectory.mkdir());

    try {
      AtomTypeSet ats1 = new AtomTypeSet();
      ats1.load(getClass().getResourceAsStream("Data/AtomTypes"));

      File g98File = new File(testDirectory, "g98.out");
      FileUtilities.copyStreamToFile(getClass().getResourceAsStream("Test-"
              + g98File.getName()), g98File);
      reader1 = new Gaussian98Reader(new FileReader(g98File));
    } catch (IOException ex) {
      fail("unable to open Gaussian98 test file: " + ex.toString());
    }
  }

  /**
   * Destroy fixtures.
   */
  public void tearDown() {
    testDirectory = null;
  }

  /**
   * Test reading a file.
   */
  public void testRead() {

    try {
      ChemFile cf1 = reader1.read();
      assertEquals(8, cf1.getNumberFrames());
      assertEquals(
          "SCF Done:  E(UHF) =  -304.909591195     A.U. after   38 cycles",
            cf1.getFrame(0).getInfo());
      assertEquals(
          "SCF Done:  E(UHF) =  -304.912139784     A.U. after    1 cycles",
            cf1.getFrame(7).getInfo());
    } catch (Exception ex) {
      ex.printStackTrace();
      fail(ex.toString());
    }
  }

}

--- NEW FILE: JmolTests.java ---

/*
 * Copyright 2002 The Jmol Development Team
 *
 *  This library 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 library 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 library; if not, write to the Free Software
 *  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA
 *  02111-1307  USA.
 */
package org.openscience.jmol;

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

/**
 * Test suite of all tests in the Jmol project.
 *
 * @author Bradley A. Smith (br...@ba...)
 */
public class JmolTests {

  /**
   * Returns a suite containing all the tests in this project.
   *
   * @return a suite containing all the tests in this project.
   */
  public static Test suite() {

    TestSuite suite = new TestSuite();
    suite.addTest(org.openscience.jmol.Tests.suite());
    suite.addTest(org.openscience.jmol.applet.Tests.suite());
    return suite;
  }

}

--- NEW FILE: SharcReaderTest.java ---

/*
 * Copyright 2001 The Jmol Development Team
 *
 *  This library 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 library 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 library; if not, write to the Free Software
 *  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA
 *  02111-1307  USA.
 */
package org.openscience.jmol;

import junit.framework.TestSuite;
import junit.framework.Assert;
import junit.framework.TestCase;
import junit.framework.Test;
import java.io.InputStreamReader;
import java.io.BufferedReader;
import java.io.IOException;

/**
 * Unit tests for the SharcReader class.
 */
public class SharcReaderTest extends TestCase {

  /**
   * Creates a Test for the given method.
   */
  public SharcReaderTest(String name) {
    super(name);
  }

  /**
   * SharcReader fixture.
   */
  SharcReader sr1;

  /**
   * Set up for testing.
   */
  public void setUp() {

    try {
      sr1 = new SharcReader(
          new BufferedReader(
            new InputStreamReader(
              getClass().getResourceAsStream(
                "Data/refs_c4h12si1_data.sharc"))));
    } catch (IOException ex) {
      fail(ex.toString());
    }
  }

  /**
   * Test reading.
   */
  public void testReading() {

    try {
      assertTrue(sr1.hasNext());
      SharcShielding ss1 = sr1.next();
      assertTrue(sr1.hasNext());
      assertEquals("GIAO-G94/RHF/6-31+GD//B3LYP/6-31GD", ss1.getMethod());
      assertTrue(ss1.containsElement("C"));
      assertEquals(200.16, ss1.getShielding("C"), 0.001);
      assertTrue(ss1.containsElement("H"));
      assertEquals(32.53, ss1.getShielding("H"), 0.001);
      assertTrue(ss1.containsElement("Si"));
      assertEquals(446.32, ss1.getShielding("Si"), 0.001);

      ss1 = sr1.next();
      assertTrue(sr1.hasNext());
      assertEquals("GIAO-G94/RHF/6-311+G2DP//B3LYP/6-31GD", ss1.getMethod());
      assertTrue(ss1.containsElement("C"));
      assertEquals(192.6, ss1.getShielding("C"), 0.001);
      assertTrue(ss1.containsElement("H"));
      assertEquals(32.07, ss1.getShielding("H"), 0.001);
      assertTrue(ss1.containsElement("Si"));
      assertEquals(385.83, ss1.getShielding("Si"), 0.001);
    } catch (IOException ex) {
      fail(ex.toString());
    }
  }

  /**
   * Returns a Test containing all the tests.
   */
  public static Test suite() {
    TestSuite suite = new TestSuite(SharcReaderTest.class);
    return suite;
  }
}

--- NEW FILE: Test-g98.out ---
 Entering Gaussian System, Link 0=g98
 Input=phen-ph_np.com
 Output=phen-ph_np.log
 Initial command:
 /usr/local/chpc//g98/l1.exe /scratch/chmsan/Gau-301133.inp -scrdir=/scratch/chmsan/
 Entering Link 1 = /usr/local/chpc//g98/l1.exe PID=    300915.

 Copyright (c) 1988,1990,1992,1993,1995,1998 Gaussian, Inc.
                  All Rights Reserved.

 This is part of the Gaussian(R) 98 program.  It is based on
 the Gaussian 94(TM) system (copyright 1995 Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992 Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990 Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988 Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986 Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
[...2446 lines suppressed...]
 ,-0.00000130,0.00000221,-0.00039275,-0.00019072,-0.00010581,0.00330000
 ,-0.00000948,-0.00000464,-0.00057086,0.00001034,-0.00006182,0.00881170
 ,-0.00105766,-0.00068441,-0.04620383,-0.00000128,0.00000225,-0.0001103
 9,0.00000020,0.00000535,-0.00078759,0.00000839,0.00003625,-0.00455239,
 0.00006901,0.00007587,-0.00158114,0.00000450,0.00000902,-0.00108451,0.
 00115935,0.00083220,0.03145876\\0.00000845,0.00013468,0.00003784,-0.00
 000378,-0.00001396,0.00004844,0.00000635,-0.00005612,0.00000746,-0.000
 01724,-0.00010256,-0.00001497,-0.00002547,-0.00000420,-0.00007383,-0.0
 0002973,0.00004331,0.00000305,0.00001024,-0.00000017,-0.00000414,-0.00
 000261,-0.00000006,-0.00001144,0.00000164,0.00000841,-0.00002396,0.000
 04923,-0.00001709,0.00003031,-0.00000100,0.00000316,0.00000384,0.00000
 391,0.00000459,-0.00000260\\\@

 IT'S WHAT YOU LEARN AFTER YOU KNOW IT ALL
 THAT COUNTS.
 Job cpu time:  0 days  4 hours 39 minutes 36.6 seconds.
 File lengths (MBytes):  RWF= 2576 Int=    0 D2E=    0 Chk=    4 Scr=    1
 Normal termination of Gaussian 98.

--- NEW FILE: Tests.java ---

/*
 * Copyright 2002 The Jmol Development Team
 *
 *  This library 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 library 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 library; if not, write to the Free Software
 *  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA
 *  02111-1307  USA.
 */
package org.openscience.jmol;

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

/**
 * Test suite of all tests in this package.
 *
 * @author Bradley A. Smith (br...@ba...)
 */
public class Tests {

  /**
   * Returns a suite containing all the tests in this package.
   *
   * @return a suite containing all the tests in this package.
   */
  public static Test suite() {

    TestSuite suite = new TestSuite();
    suite.addTest(BaseAtomTypeTest.suite());
    suite.addTest(AtomTypeTest.suite());
    suite.addTest(AtomTypeSetTest.suite());
    suite.addTest(AtomTypesModelTest.suite());
    suite.addTest(Gaussian98ReaderTest.suite());
    return suite;
  }

}

[Jmol-commits] CVS: Jmol/source-tests/org/openscience/jmol AtomTypeSetTest.java,NONE,1.1 AtomTypeTes

An interactive viewer for three-dimensional chemical structures.