added CDKRMapHandlerTest

src/test/org/openscience/cdk/smsd/algorithm/cdk/CDKRMapHandlerTest.java

@@ -0,0 +1,205 @@
+/* Copyright (C) 2009-2010 Syed Asad Rahman {asad@ebi.ac.uk}
+ *
+ * Contact: cdk-devel@lists.sourceforge.net
+ *
+ * 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., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
+ */
+package org.openscience.cdk.smsd.algorithm.cdk;
+
+import java.util.ArrayList;
+import java.util.List;
+import java.util.Map;
+import java.util.TreeMap;
+import org.junit.After;
+import org.junit.AfterClass;
+import org.junit.Before;
+import org.junit.BeforeClass;
+import org.junit.Test;
+import org.openscience.cdk.DefaultChemObjectBuilder;
+import static org.junit.Assert.*;
+import org.openscience.cdk.exception.CDKException;
+import org.openscience.cdk.exception.InvalidSmilesException;
+import org.openscience.cdk.interfaces.IAtomContainer;
+import org.openscience.cdk.interfaces.IChemObjectBuilder;
+import org.openscience.cdk.smiles.SmilesParser;
+import org.openscience.cdk.smsd.helper.FinalMappings;
+
+/**
+ * @cdk.module test-smsd
+ * @author     Syed Asad Rahman
+ * @cdk.require java1.5+
+ */
+public class CDKRMapHandlerTest {
+
+    public CDKRMapHandlerTest() {
+    }
+
+    @BeforeClass
+    public static void setUpClass() throws Exception {
+    }
+
+    @AfterClass
+    public static void tearDownClass() throws Exception {
+    }
+
+    @Before
+    public void setUp() {
+    }
+
+    @After
+    public void tearDown() {
+    }
+
+    /**
+     * Test of getSource method, of class CDKRMapHandler.
+     */
+    @Test
+    public void testGetSource() {
+        System.out.println("getSource");
+        IAtomContainer expResult = DefaultChemObjectBuilder.getInstance().newInstance(IAtomContainer.class);
+        CDKRMapHandler.setSource(expResult);
+        IAtomContainer result = CDKRMapHandler.getSource();
+        assertEquals(expResult, result);
+    }
+
+    /**
+     * Test of setSource method, of class CDKRMapHandler.
+     */
+    @Test
+    public void testSetSource() {
+        System.out.println("setSource");
+        IAtomContainer expResult = DefaultChemObjectBuilder.getInstance().newInstance(IAtomContainer.class);
+        CDKRMapHandler.setSource(expResult);
+        IAtomContainer result = CDKRMapHandler.getSource();
+        assertEquals(expResult, result);
+    }
+
+    /**
+     * Test of getTarget method, of class CDKRMapHandler.
+     */
+    @Test
+    public void testGetTarget() {
+        System.out.println("getTarget");
+        IAtomContainer expResult = DefaultChemObjectBuilder.getInstance().newInstance(IAtomContainer.class);
+        CDKRMapHandler.setTarget(expResult);
+        IAtomContainer result = CDKRMapHandler.getTarget();
+        assertEquals(expResult, result);
+    }
+
+    /**
+     * Test of setTarget method, of class CDKRMapHandler.
+     */
+    @Test
+    public void testSetTarget() {
+        System.out.println("setTarget");
+        IAtomContainer expResult = DefaultChemObjectBuilder.getInstance().newInstance(IAtomContainer.class);
+        CDKRMapHandler.setTarget(expResult);
+        IAtomContainer result = CDKRMapHandler.getTarget();
+        assertEquals(expResult, result);
+    }
+
+    /**
+     * Test of calculateOverlapsAndReduce method, of class CDKRMapHandler.
+     */
+    @Test
+    public void testCalculateOverlapsAndReduce() throws Exception {
+        System.out.println("calculateOverlapsAndReduce");
+        IChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
+        SmilesParser sp = new SmilesParser(builder);
+        IAtomContainer Molecule1 = sp.parseSmiles("O1C=CC=C1");
+        IAtomContainer Molecule2 = sp.parseSmiles("C1CCCC1");
+        CDKRMapHandler instance = new CDKRMapHandler();
+        instance.calculateOverlapsAndReduce(Molecule1, Molecule2);
+        assertNotNull(FinalMappings.getInstance().getSize());
+    }
+
+    /**
+     * Test of calculateOverlapsAndReduceExactMatch method, of class CDKRMapHandler.
+     */
+    @Test
+    public void testCalculateOverlapsAndReduceExactMatch() throws Exception {
+        System.out.println("calculateOverlapsAndReduceExactMatch");
+        IChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
+        SmilesParser sp = new SmilesParser(builder);
+        IAtomContainer Molecule1 = sp.parseSmiles("O1C=CC=C1");
+        IAtomContainer Molecule2 = sp.parseSmiles("O1C=CC=C1");
+        CDKRMapHandler instance = new CDKRMapHandler();
+        instance.calculateOverlapsAndReduceExactMatch(Molecule1, Molecule2);
+        // TODO review the generated test code and remove the default call to fail.
+        assertNotNull(FinalMappings.getInstance().getSize());
+    }
+
+    /**
+     * Test of getMappings method, of class CDKRMapHandler.
+     */
+    @Test
+    public void testGetMappings() throws InvalidSmilesException, CDKException {
+        System.out.println("getMappings");
+        IChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
+        SmilesParser sp = new SmilesParser(builder);
+        IAtomContainer Molecule1 = sp.parseSmiles("O1C=CC=C1");
+        IAtomContainer Molecule2 = sp.parseSmiles("O1C=CC=C1");
+        CDKRMapHandler instance = new CDKRMapHandler();
+        instance.calculateOverlapsAndReduceExactMatch(Molecule1, Molecule2);
+        List<Map<Integer, Integer>> result = instance.getMappings();
+        assertEquals(10, result.size());
+    }
+
+    /**
+     * Test of setMappings method, of class CDKRMapHandler.
+     */
+    @Test
+    public void testSetMappings() {
+        System.out.println("setMappings");
+        Map<Integer, Integer> map = new TreeMap<Integer, Integer>();
+        map.put(0, 0);
+        map.put(1, 1);
+
+        List<Map<Integer, Integer>> mappings = new ArrayList<Map<Integer, Integer>>();
+        mappings.add(map);
+        CDKRMapHandler instance = new CDKRMapHandler();
+        instance.setMappings(mappings);
+        assertNotNull(instance.getMappings());
+    }
+
+    /**
+     * Test of isTimeoutFlag method, of class CDKRMapHandler.
+     */
+    @Test
+    public void testIsTimeoutFlag() {
+        System.out.println("isTimeoutFlag");
+        CDKRMapHandler instance = new CDKRMapHandler();
+        boolean expResult = true;
+        instance.setTimeoutFlag(true);
+        boolean result = instance.isTimeoutFlag();
+        assertEquals(expResult, result);
+    }
+
+    /**
+     * Test of setTimeoutFlag method, of class CDKRMapHandler.
+     */
+    @Test
+    public void testSetTimeoutFlag() {
+        System.out.println("setTimeoutFlag");
+        boolean timeoutFlag = false;
+        CDKRMapHandler instance = new CDKRMapHandler();
+        instance.setTimeoutFlag(timeoutFlag);
+        assertNotSame(true, instance.isTimeoutFlag());
+    }
+}