MoleculeTest.java

/*
 * MX Cheminformatics Tools for Java
 * 
 * Copyright (c) 2007, 2008 Metamolecular, LLC
 * 
 * http://metamolecular.com
 *
 * Permission is hereby granted, free of charge, to any person obtaining a copy
 * of this software and associated documentation files (the "Software"), to deal
 * in the Software without restriction, including without limitation the rights
 * to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
 * copies of the Software, and to permit persons to whom the Software is
 * furnished to do so, subject to the following conditions:
 *
 * The above copyright notice and this permission notice shall be included in
 * all copies or substantial portions of the Software.
 *
 * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
 * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
 * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
 * AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
 * LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
 * OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
 * THE SOFTWARE.
 */
package com.chemhack.jsMolEditor.client.test;

import com.chemhack.jsMolEditor.client.model.Atom;
import com.chemhack.jsMolEditor.client.model.Molecule;
import com.chemhack.jsMolEditor.client.model.DefaultMolecule;
import com.chemhack.jsMolEditor.client.model.Bond;
import com.chemhack.jsMolEditor.client.jre.emulation.java.event.ChangeEvent;
import com.chemhack.jsMolEditor.client.jre.emulation.java.event.ChangeListener;
import com.google.gwt.junit.client.GWTTestCase;


/**
 * @author Richard L. Apodaca
 *         Duan Lian
 */
public class MoleculeTest extends GWTTestCase {

    public String getModuleName() {
        return "com.chemhack.jsMolEditor.Editor";
    }

    public void testItShouldAddAValidAtom() {
        Molecule molecule = new DefaultMolecule();
        Atom atom = molecule.addAtom("C");

        assertEquals(1, molecule.countAtoms());
        assertEquals("C", molecule.getAtom(0).getSymbol());
        assertEquals(atom, molecule.getAtom(0));
    }

    

    public void testItShouldLeavAnAtomWithANullMoleculeWhenDeletingIt() {
        Molecule molecule = new DefaultMolecule();
        Atom atom = molecule.addAtom("C");

        molecule.removeAtom(atom);

        assertEquals(0, molecule.countAtoms());
        assertNull(atom.getMolecule());
    }

    public void testItShouldConnectTwoValidAtomsWithAValidBondType() {
        Molecule molecule = new DefaultMolecule();
        Atom atom1 = molecule.addAtom("C");
        Atom atom2 = molecule.addAtom("C");
        Bond bond = molecule.connect(atom1, atom2, 1);

        assertEquals(atom1, bond.getSource());
        assertEquals(atom2, bond.getTarget());
        assertEquals(1, atom1.countNeighbors());
        assertEquals(1, atom2.countNeighbors());
        assertEquals(1, bond.getType());
        assertEquals(1, molecule.countBonds());
    }

    public void testItShouldDisconnectAtomsLeavingNoBondBetweenThem() {
        Molecule molecule = new DefaultMolecule();
        Atom atom1 = molecule.addAtom("C");
        Atom atom2 = molecule.addAtom("C");

        molecule.connect(atom1, atom2, 1);
        molecule.disconnect(atom1, atom2);

        assertEquals(2, molecule.countAtoms());
        assertEquals(0, atom1.countNeighbors());
        assertEquals(0, atom2.countNeighbors());
        assertEquals(0, molecule.countBonds());
    }

    public void testItShouldDeleteAllBondsToAnAtomItDeletes() {
        Molecule molecule = new DefaultMolecule();
        Atom atom1 = molecule.addAtom("C");
        Atom atom2 = molecule.addAtom("C");

        molecule.connect(atom1, atom2, 1);
        molecule.removeAtom(atom2);

        assertEquals(1, molecule.countAtoms());
        assertEquals(0, atom1.countNeighbors());
        assertEquals(0, atom2.countNeighbors());
        assertEquals(0, molecule.countBonds());
    }

    public void testItShouldThrowWhenConnectingAnAtomThatDoesntBelong() {
        Molecule molecule1 = new DefaultMolecule();
        Molecule molecule2 = new DefaultMolecule();
        Atom atom1 = molecule1.addAtom("C");
        Atom atom2 = molecule2.addAtom("C");
        boolean thrown = false;

        try {
            molecule1.connect(atom1, atom2, 1);
        }
        catch (Exception e) {
            thrown = true;
        }

        assertTrue(thrown);
    }

    public void testItShouldRemoveAnAtomThatBelongs() {
        Molecule molecule = new DefaultMolecule();

        Atom atom = molecule.addAtom("C");

        molecule.removeAtom(atom);

        assertEquals(0, molecule.countAtoms());
    }

    public void testItShouldThrowWhenRemovingAnAtomThatDoesntBelong() {
        Molecule molecule1 = new DefaultMolecule();
        Molecule molecule2 = new DefaultMolecule();
        Atom atom2 = molecule2.addAtom("C");
        boolean thrown = false;

        molecule1.addAtom("C");

        try {
            molecule1.removeAtom(atom2);
        }
        catch (Exception e) {
            thrown = true;
        }

        assertTrue(thrown);
    }

    public void testItShouldThrowWhenAddingInvalidAtom() {
        Molecule molecule = new DefaultMolecule();
        boolean thrown = false;

        try {
            molecule.addAtom("fail");
        }
        catch (Exception e) {
            thrown = true;
        }

        assertTrue(thrown);
    }

    public void testItShouldFireAtomAddEvent() {
        Molecule molecule = new DefaultMolecule();
        Listener listener = new Listener();

        molecule.addChangeListener(listener);
        molecule.addAtom("C");

        assertEquals(1, listener.count);
    }

    public void testItShouldFireBondAddEvent() {
        Molecule molecule = new DefaultMolecule();
        Listener listener = new Listener();

        molecule.addChangeListener(listener);

        Atom atom1 = molecule.addAtom("C");
        Atom atom2 = molecule.addAtom("C");

        molecule.connect(atom1, atom2, 1);

        assertEquals(3, listener.count);
    }

    public void testItShouldIgnoreAtomAddChangesWhenBeginModifySet() {
        Molecule molecule = new DefaultMolecule();
        Listener listener = new Listener();

        molecule.addChangeListener(listener);
        molecule.beginModify();
        molecule.addAtom("C");

        assertEquals(0, listener.count);
    }

    public void testItShouldFireSingleChangeEventAfterEndModify() {
        Molecule molecule = new DefaultMolecule();
        Listener listener = new Listener();

        molecule.addChangeListener(listener);
        molecule.beginModify();
        molecule.addAtom("C");
        molecule.addAtom("C");
        molecule.addAtom("C");
        molecule.endModify();

        assertEquals(1, listener.count);
    }

    public void testItShouldRemoveAChangeListener() {
        Molecule molecule = new DefaultMolecule();
        Listener listener = new Listener();

        molecule.addChangeListener(listener);
        molecule.removeChangeListener(listener);

        molecule.addAtom("C");

        assertEquals(0, listener.count);
    }

    public void testItShouldThrowWhenConnectingAnAtomToItself() {
        Molecule molecule = new DefaultMolecule();
        Atom atom1 = molecule.addAtom("C");

        try {
            molecule.connect(atom1, atom1, 1);
            fail();
        }
        catch (IllegalStateException ignore) {
        }
    }

    public void testItShouldThrowWhenRemovingANonmemberAtom() {
        Molecule m1 = new DefaultMolecule();
        Molecule m2 = new DefaultMolecule();
        Atom a1 = m1.addAtom("C");
        Atom a2 = m2.addAtom("C");

        try {
            m1.removeAtom(a2);
            fail();
        }
        catch (IllegalStateException ignore) {

        }
    }

    private class Listener implements ChangeListener {
        private int count = 0;

        public void stateChanged(ChangeEvent e) {
            count++;
        }
    }
}