/* * 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.Molecule; import com.chemhack.jsMolEditor.client.model.Bond; import com.chemhack.jsMolEditor.client.model.DefaultMolecule; import com.chemhack.jsMolEditor.client.model.Atom; import com.google.gwt.junit.client.GWTTestCase; /** * @author Richard L. Apodaca * Duan Lian */ public class BondTest extends GWTTestCase { public String getModuleName() { return "com.chemhack.jsMolEditor.Editor"; } public void testItShouldChangeItsPropertiesWhenBondOrderIsSet() { Molecule molecule = new DefaultMolecule(); Atom c1 = molecule.addAtom("C"); Atom c2 = molecule.addAtom("C"); Bond bond = molecule.connect(c1, c2, 1); assertEquals(1, bond.getType()); assertEquals(1, bond.getSource().getValence()); bond.setType(2); assertEquals(2, bond.getType()); assertEquals(2, bond.getSource().getValence()); } public void testItShouldChangeItsPropertiesWhenBondStereoIsSet() { Molecule molecule = new DefaultMolecule(); Atom c1 = molecule.addAtom("C"); Atom c2 = molecule.addAtom("C"); Bond bond = molecule.connect(c1, c2, 1); assertEquals(0, bond.getStereo()); bond.setStereo(1); assertEquals(1, bond.getStereo()); } public void testItShouldChangeItsPropertiesWhenReversed() { Molecule molecule = new DefaultMolecule(); Atom c1 = molecule.addAtom("C"); Atom c2 = molecule.addAtom("C"); Bond bond = molecule.connect(c1, c2, 1); assertEquals(c1, bond.getSource()); bond.reverse(); assertEquals(c2, bond.getSource()); } public void testItShouldThrowWhenSettingAnInvalidType() { Molecule molecule = new DefaultMolecule(); Atom c1 = molecule.addAtom("C"); Atom c2 = molecule.addAtom("C"); Bond bond = molecule.connect(c1, c2, 1); try { bond.setType(0); fail(); } catch (IllegalStateException ignore) { } } public void testItShouldThrowWhenSettingAnInvalidStereo() { Molecule molecule = new DefaultMolecule(); Atom c1 = molecule.addAtom("C"); Atom c2 = molecule.addAtom("C"); Bond bond = molecule.connect(c1, c2, 1); int[] nonos = new int[] { -1, 2, 5, 7 }; for (int i = 0; i < nonos.length; i++) { try { bond.setStereo(nonos[i]); fail(); } catch (IllegalStateException ignore) { } } } }