1 /* 2 * Copyright (c) 2013 European Bioinformatics Institute (EMBL-EBI) 3 * John May <jwmay@users.sf.net> 4 * 5 * Contact: cdk-devel@lists.sourceforge.net 6 * 7 * This program is free software; you can redistribute it and/or modify it 8 * under the terms of the GNU Lesser General Public License as published by 9 * the Free Software Foundation; either version 2.1 of the License, or (at 10 * your option) any later version. All we ask is that proper credit is given 11 * for our work, which includes - but is not limited to - adding the above 12 * copyright notice to the beginning of your source code files, and to any 13 * copyright notice that you may distribute with programs based on this work. 14 * 15 * This program is distributed in the hope that it will be useful, but WITHOUT 16 * ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or 17 * FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public 18 * License for more details. 19 * 20 * You should have received a copy of the GNU Lesser General Public License 21 * along with this program; if not, write to the Free Software 22 * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 U 23 */ 24 25 package org.openscience.cdk.isomorphism; 26 27 import org.junit.Test; 28 import org.openscience.cdk.interfaces.IAtom; 29 import org.openscience.cdk.interfaces.IPseudoAtom; 30 import org.openscience.cdk.isomorphism.matchers.IQueryAtom; 31 32 import static org.junit.Assert.assertFalse; 33 import static org.junit.Assert.assertTrue; 34 import static org.mockito.Mockito.mock; 35 import static org.mockito.Mockito.when; 36 37 /** 38 * @author John May 39 * @cdk.module test-isomorphism 40 */ 41 public class AtomMatcherTest { 42 43 @Test anyMatch()44 public void anyMatch() throws Exception { 45 AtomMatcher matcher = AtomMatcher.forAny(); 46 IAtom atom1 = mock(IAtom.class); 47 IAtom atom2 = mock(IAtom.class); 48 IAtom atom3 = mock(IAtom.class); 49 when(atom1.getAtomicNumber()).thenReturn(6); 50 when(atom2.getAtomicNumber()).thenReturn(7); 51 when(atom3.getAtomicNumber()).thenReturn(8); 52 assertTrue(matcher.matches(atom1, atom2)); 53 assertTrue(matcher.matches(atom2, atom1)); 54 assertTrue(matcher.matches(atom1, atom3)); 55 assertTrue(matcher.matches(atom3, atom1)); 56 assertTrue(matcher.matches(atom2, atom3)); 57 assertTrue(matcher.matches(atom1, null)); 58 assertTrue(matcher.matches(null, null)); 59 } 60 61 @Test elementMatch()62 public void elementMatch() throws Exception { 63 AtomMatcher matcher = AtomMatcher.forElement(); 64 IAtom atom1 = mock(IAtom.class); 65 IAtom atom2 = mock(IAtom.class); 66 when(atom1.getAtomicNumber()).thenReturn(6); 67 when(atom2.getAtomicNumber()).thenReturn(6); 68 assertTrue(matcher.matches(atom1, atom2)); 69 assertTrue(matcher.matches(atom2, atom1)); 70 } 71 72 @Test elementMismatch()73 public void elementMismatch() throws Exception { 74 AtomMatcher matcher = AtomMatcher.forElement(); 75 IAtom atom1 = mock(IAtom.class); 76 IAtom atom2 = mock(IAtom.class); 77 when(atom1.getAtomicNumber()).thenReturn(6); 78 when(atom2.getAtomicNumber()).thenReturn(8); 79 assertFalse(matcher.matches(atom1, atom2)); 80 assertFalse(matcher.matches(atom2, atom1)); 81 } 82 83 @Test elementPseudo()84 public void elementPseudo() throws Exception { 85 AtomMatcher matcher = AtomMatcher.forElement(); 86 IAtom atom1 = mock(IPseudoAtom.class); 87 IAtom atom2 = mock(IPseudoAtom.class); 88 assertTrue(matcher.matches(atom1, atom2)); 89 assertTrue(matcher.matches(atom2, atom1)); 90 } 91 92 @Test(expected = NullPointerException.class) elementError()93 public void elementError() throws Exception { 94 AtomMatcher matcher = AtomMatcher.forElement(); 95 IAtom atom1 = mock(IAtom.class); 96 IAtom atom2 = mock(IAtom.class); 97 when(atom1.getAtomicNumber()).thenReturn(null); 98 when(atom2.getAtomicNumber()).thenReturn(null); 99 matcher.matches(atom1, atom2); 100 } 101 102 @Test queryMatch()103 public void queryMatch() throws Exception { 104 AtomMatcher matcher = AtomMatcher.forQuery(); 105 IQueryAtom atom1 = mock(IQueryAtom.class); 106 IAtom atom2 = mock(IAtom.class); 107 IAtom atom3 = mock(IAtom.class); 108 when(atom1.matches(atom2)).thenReturn(true); 109 when(atom1.matches(atom3)).thenReturn(false); 110 assertTrue(matcher.matches(atom1, atom2)); 111 assertFalse(matcher.matches(atom1, atom3)); 112 } 113 } 114