A few missing unit tests in the 'qsar' module

Signed-off-by: Rajarshi Guha <rajarshi.guha@gmail.com>
cdk · Nov 25, 2011 · 2356a10 · 2356a10
1 parent 804a6f5
commit 2356a10
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Showing 3 changed files with 119 additions and 6 deletions.
diff --git a/src/main/org/openscience/cdk/tools/AtomicProperties.java b/src/main/org/openscience/cdk/tools/AtomicProperties.java
@@ -27,6 +27,9 @@
 import java.util.Hashtable;
 import java.util.Map;
 
+import org.openscience.cdk.annotations.TestClass;
+import org.openscience.cdk.annotations.TestMethod;
+
 /**
  * Provides atomic property values for descriptor calculations.
  *
@@ -37,6 +40,7 @@
  * @cdk.module qsar
  * @cdk.githash
  */
+@TestClass("org.openscience.cdk.tools.AtomicPropertiesTest")
 public class AtomicProperties {
 
     private static AtomicProperties ap=null;
@@ -72,41 +76,47 @@ private AtomicProperties() throws IOException {
 		bufferedReader.close();
 	}
 
-
-
+    @TestMethod("testGetVdWVolume")
 	public double getVdWVolume(String symbol) {
 		return htVdWVolume.get(symbol);
 	}
 
+    @TestMethod("testGetNormalizedVdWVolume")
 	public double getNormalizedVdWVolume(String symbol) {
 		return this.getVdWVolume(symbol)/this.getVdWVolume("C");
 	}
 
+    @TestMethod("testGetElectronegativity")
 	public double getElectronegativity(String symbol) {
 		return htElectronegativity.get(symbol);
 	}
 
+    @TestMethod("testGetNormalizedElectronegativity")
 	public double getNormalizedElectronegativity(String symbol) {
 		return this.getElectronegativity(symbol)/this.getElectronegativity("C");
 	}
-	public double getPolarizability(String symbol) {
+
+    @TestMethod("testGetPolarizability")
+    public double getPolarizability(String symbol) {
 		return htPolarizability.get(symbol);
 	}
 
+    @TestMethod("testGetNormalizedPolarizability")
 	public double getNormalizedPolarizability(String symbol) {
 		return this.getPolarizability(symbol)/this.getPolarizability("C");
 	}
 
+    @TestMethod("testGetMass")
     public double getMass(String symbol) {
 		return htMass.get(symbol);
 	}
 
+    @TestMethod("testGetNormalizedMass")
 	public double getNormalizedMass(String symbol) {
 		return this.getMass(symbol)/this.getMass("C");
 	}
 
-
-
+	@TestMethod("testGetInstance")
 	public static AtomicProperties getInstance() throws IOException
 	{
 		if (ap == null) {

diff --git a/src/test/org/openscience/cdk/modulesuites/MqsarTests.java b/src/test/org/openscience/cdk/modulesuites/MqsarTests.java
@@ -23,6 +23,7 @@
 import org.junit.runners.Suite.SuiteClasses;
 import org.openscience.cdk.coverage.QsarCoverageTest;
 import org.openscience.cdk.qsar.DescriptorExceptionTest;
+import org.openscience.cdk.tools.AtomicPropertiesTest;
 
 /**
  * TestSuite that runs all the sample tests.
@@ -34,6 +35,7 @@
 @RunWith(value=Suite.class)
 @SuiteClasses(value={
     QsarCoverageTest.class,
-    DescriptorExceptionTest.class
+    DescriptorExceptionTest.class,
+    AtomicPropertiesTest.class
 })
 public class MqsarTests {}
diff --git a/src/test/org/openscience/cdk/tools/AtomicPropertiesTest.java b/src/test/org/openscience/cdk/tools/AtomicPropertiesTest.java
@@ -0,0 +1,101 @@
+/* Copyright (C) 2011  Egon Willighagen <egonw@users.sf.net>
+ *
+ * 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 I ask is that proper credit is given for my 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.tools;
+
+import java.io.IOException;
+
+import org.junit.Assert;
+import org.junit.Test;
+import org.openscience.cdk.CDKTestCase;
+
+/**
+ * @cdk.module test-qsar
+ */
+public class AtomicPropertiesTest extends CDKTestCase {
+
+    @Test
+    public void testGetInstance() throws IOException {
+        AtomicProperties props = AtomicProperties.getInstance();
+        Assert.assertNotNull(props);
+        // test singleton pattern
+        AtomicProperties props2 = AtomicProperties.getInstance();
+        Assert.assertEquals(props2, props);
+    }
+
+    @Test
+    public void testGetMass() throws Exception {
+        AtomicProperties props = AtomicProperties.getInstance();
+        double mass = props.getMass("C");
+        Assert.assertTrue(mass > 0);
+    }
+
+    @Test
+    public void testGetNormalizedMass() throws Exception {
+        AtomicProperties props = AtomicProperties.getInstance();
+        double mass = props.getNormalizedMass("C");
+        Assert.assertTrue(mass > 0);
+    }
+
+    @Test
+    public void testGetPolarizability() throws Exception {
+        AtomicProperties props = AtomicProperties.getInstance();
+        double polar = props.getPolarizability("C");
+        Assert.assertTrue(polar > 0);
+    }
+
+    @Test
+    public void testGetNormalizedPolarizability() throws Exception {
+        AtomicProperties props = AtomicProperties.getInstance();
+        double polar = props.getNormalizedPolarizability("C");
+        Assert.assertTrue(polar > 0);
+    }
+
+    @Test
+    public void testGetVdWVolume() throws Exception {
+        AtomicProperties props = AtomicProperties.getInstance();
+        double vol = props.getVdWVolume("C");
+        Assert.assertTrue(vol > 0);
+    }
+
+    @Test
+    public void testGetNormalizedVdWVolume() throws Exception {
+        AtomicProperties props = AtomicProperties.getInstance();
+        double vol = props.getNormalizedVdWVolume("C");
+        Assert.assertTrue(vol > 0);
+    }
+
+    @Test
+    public void testGetElectronegativity() throws Exception {
+        AtomicProperties props = AtomicProperties.getInstance();
+        double eneg = props.getElectronegativity("C");
+        Assert.assertTrue(eneg > 0);
+    }
+
+    @Test
+    public void testGetNormalizedElectronegativity() throws Exception {
+        AtomicProperties props = AtomicProperties.getInstance();
+        double eneg = props.getNormalizedElectronegativity("C");
+        Assert.assertTrue(eneg > 0);
+    }
+}
+