From: <raj...@us...> - 2008-01-07 18:03:20
|
Revision: 9852 http://cdk.svn.sourceforge.net/cdk/?rev=9852&view=rev Author: rajarshi Date: 2008-01-07 10:03:16 -0800 (Mon, 07 Jan 2008) Log Message: ----------- Updated to JUnit 4 and added test method/classs annotations. Did not annotate deprecated methods Modified Paths: -------------- trunk/cdk/src/org/openscience/cdk/geometry/CrystalGeometryTools.java trunk/cdk/src/org/openscience/cdk/test/geometry/CrystalGeometryToolsTest.java trunk/cdk/src/org/openscience/cdk/test/modulesuites/MstandardTests.java Modified: trunk/cdk/src/org/openscience/cdk/geometry/CrystalGeometryTools.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/geometry/CrystalGeometryTools.java 2008-01-07 15:43:20 UTC (rev 9851) +++ trunk/cdk/src/org/openscience/cdk/geometry/CrystalGeometryTools.java 2008-01-07 18:03:16 UTC (rev 9852) @@ -27,13 +27,15 @@ * */ package org.openscience.cdk.geometry; +import org.openscience.cdk.annotations.TestClass; +import org.openscience.cdk.annotations.TestMethod; +import org.openscience.cdk.interfaces.IAtom; +import org.openscience.cdk.interfaces.IAtomContainer; +import org.openscience.cdk.interfaces.ICrystal; + import javax.vecmath.Point3d; import javax.vecmath.Vector3d; -import org.openscience.cdk.interfaces.IAtomContainer; -import org.openscience.cdk.interfaces.IAtom; -import org.openscience.cdk.interfaces.ICrystal; - /** * A set of static methods for working with crystal coordinates. * @@ -44,6 +46,7 @@ * * @cdk.keyword fractional coordinates, crystal */ +@TestClass("org.openscience.cdk.test.geometry.CrystalGeometryToolsTest") public class CrystalGeometryTools { /** @@ -52,6 +55,7 @@ * @return a 3x3 matrix with the three cartesian vectors representing * the unit cell axes. The a axis is the first row. */ + @TestMethod("testCalcInvertedAxes_Vector3d_Vector3d_Vector3d") public static Vector3d[] calcInvertedAxes(Vector3d aAxis, Vector3d bAxis, Vector3d cAxis) { double det = aAxis.x*bAxis.y*cAxis.z - aAxis.x*bAxis.z*cAxis.y - aAxis.y*bAxis.x*cAxis.z + aAxis.y*bAxis.z*cAxis.x + @@ -77,6 +81,7 @@ /** * @cdk.dictref blue-obelisk:convertCartesianIntoFractionalCoordinates */ + @TestMethod("testCartesianToFractional_Vector3d_Vector3d_Vector3d_Point3d") public static Point3d cartesianToFractional(Vector3d aAxis, Vector3d bAxis, Vector3d cAxis, Point3d cartPoint) { Vector3d[] invaxis = calcInvertedAxes(aAxis,bAxis,cAxis); @@ -103,7 +108,7 @@ * @cdk.keyword cartesian coordinates * @cdk.keyword fractional coordinates * - * @see #cartesianToFractional(double[], double[], double[], double[]) + * @see #cartesianToFractional(javax.vecmath.Vector3d, javax.vecmath.Vector3d, javax.vecmath.Vector3d, javax.vecmath.Point3d) * @deprecated */ public static double[] fractionalToCartesian(double[] aAxis, double[] bAxis, double[] cAxis, @@ -118,6 +123,7 @@ /** * @cdk.dictref blue-obelisk:convertFractionIntoCartesianCoordinates */ + @TestMethod("testFractionalToCartesian_Vector3d_Vector3d_Vector3d_Point3d") public static Point3d fractionalToCartesian(Vector3d aAxis, Vector3d bAxis, Vector3d cAxis, Point3d frac) { Point3d cart = new Point3d(); @@ -162,6 +168,7 @@ * @cdk.keyword notional coordinates * @cdk.dictref blue-obelisk:convertNotionalIntoCartesianCoordinates */ + @TestMethod("testNotionalToCartesian_double_double_double_double_double_double") public static Vector3d[] notionalToCartesian(double alength, double blength, double clength, double alpha, double beta, double gamma) { @@ -204,6 +211,7 @@ /** * @cdk.dictref blue-obelisk:convertCartesianIntoNotionalCoordinates */ + @TestMethod("testCartesianToNotional_Vector3d_Vector3d_Vector3d") public static double[] cartesianToNotional(Vector3d aAxis, Vector3d bAxis, Vector3d cAxis) { double[] notionalCoords = new double[6]; notionalCoords[0] = aAxis.length(); Modified: trunk/cdk/src/org/openscience/cdk/test/geometry/CrystalGeometryToolsTest.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/test/geometry/CrystalGeometryToolsTest.java 2008-01-07 15:43:20 UTC (rev 9851) +++ trunk/cdk/src/org/openscience/cdk/test/geometry/CrystalGeometryToolsTest.java 2008-01-07 18:03:16 UTC (rev 9852) @@ -23,15 +23,14 @@ */ package org.openscience.cdk.test.geometry; +import org.junit.Assert; +import org.junit.Test; +import org.openscience.cdk.geometry.CrystalGeometryTools; +import org.openscience.cdk.test.NewCDKTestCase; + import javax.vecmath.Point3d; import javax.vecmath.Vector3d; -import junit.framework.Test; -import junit.framework.TestSuite; - -import org.openscience.cdk.geometry.CrystalGeometryTools; -import org.openscience.cdk.test.CDKTestCase; - /** * This class defines regression tests that should ensure that the source code * of the org.openscience.cdk.geometry.CrystalGeometryTools is not broken. @@ -45,45 +44,36 @@ * * @see org.openscience.cdk.geometry.CrystalGeometryTools */ -public class CrystalGeometryToolsTest extends CDKTestCase { +public class CrystalGeometryToolsTest extends NewCDKTestCase { - public CrystalGeometryToolsTest(String name) { - super(name); + public CrystalGeometryToolsTest() { + super(); } + - public void setUp() {} - /** - * Defines a set of tests that can be used in automatic regression testing - * with JUnit. - */ - public static Test suite() { - TestSuite suite = new TestSuite(CrystalGeometryToolsTest.class); - return suite; - } - - /** * This method tests the conversion of notional coordinates to * cartesian coordinates. The test assumes that the * <code>CrystalGeometryTools.notionalToCartesian()</code> methods * places the a axis on the x axis and the b axis in the xy plane. */ + @Test public void testNotionalToCartesian_double_double_double_double_double_double() { Vector3d[] cardAxes = CrystalGeometryTools.notionalToCartesian( 1.0, 2.0, 3.0, 90.0, 90.0, 90.0 ); // the a axis - assertEquals(1.0, cardAxes[0].x, 0.001); - assertEquals(0.0, cardAxes[0].y, 0.001); - assertEquals(0.0, cardAxes[0].z, 0.001); + Assert.assertEquals(1.0, cardAxes[0].x, 0.001); + Assert.assertEquals(0.0, cardAxes[0].y, 0.001); + Assert.assertEquals(0.0, cardAxes[0].z, 0.001); // the b axis - assertEquals(0.0, cardAxes[1].x, 0.001); - assertEquals(2.0, cardAxes[1].y, 0.001); - assertEquals(0.0, cardAxes[1].z, 0.001); + Assert.assertEquals(0.0, cardAxes[1].x, 0.001); + Assert.assertEquals(2.0, cardAxes[1].y, 0.001); + Assert.assertEquals(0.0, cardAxes[1].z, 0.001); // the c axis - assertEquals(0.0, cardAxes[2].x, 0.001); - assertEquals(0.0, cardAxes[2].y, 0.001); - assertEquals(3.0, cardAxes[2].z, 0.001); + Assert.assertEquals(0.0, cardAxes[2].x, 0.001); + Assert.assertEquals(0.0, cardAxes[2].y, 0.001); + Assert.assertEquals(3.0, cardAxes[2].z, 0.001); // some sanity checking: roundtripping cardAxes = CrystalGeometryTools.notionalToCartesian( @@ -92,38 +82,38 @@ Vector3d a = cardAxes[0]; Vector3d b = cardAxes[1]; Vector3d c = cardAxes[2]; - assertEquals(69.043, Math.toDegrees(b.angle(c)), 0.001); - assertEquals(74.441, Math.toDegrees(a.angle(c)), 0.001); - assertEquals(77.821, Math.toDegrees(b.angle(a)), 0.001); - assertEquals(9.3323, a.length(), 0.0001); - assertEquals(10.1989, b.length(), 0.0001); - assertEquals(11.2477, c.length(), 0.0001); + Assert.assertEquals(69.043, Math.toDegrees(b.angle(c)), 0.001); + Assert.assertEquals(74.441, Math.toDegrees(a.angle(c)), 0.001); + Assert.assertEquals(77.821, Math.toDegrees(b.angle(a)), 0.001); + Assert.assertEquals(9.3323, a.length(), 0.0001); + Assert.assertEquals(10.1989, b.length(), 0.0001); + Assert.assertEquals(11.2477, c.length(), 0.0001); } /** * This method tests the conversion of cartesian coordinates to * notional coordinates. */ - public void testCartesianToNotional_Vector3d_Vector3d_Vector3d() { + @Test public void testCartesianToNotional_Vector3d_Vector3d_Vector3d() { Vector3d a = new Vector3d(1.0, 0.0, 0.0); Vector3d b = new Vector3d(0.0, 2.0, 0.0); Vector3d c = new Vector3d(0.0, 0.0, 3.0); double[] notionalCoords = CrystalGeometryTools.cartesianToNotional( a,b,c ); - assertEquals(1.0, notionalCoords[0], 0.001); - assertEquals(2.0, notionalCoords[1], 0.001); - assertEquals(3.0, notionalCoords[2], 0.001); - assertEquals(90.0, notionalCoords[3], 0.001); - assertEquals(90.0, notionalCoords[4], 0.001); - assertEquals(90.0, notionalCoords[5], 0.001); + Assert.assertEquals(1.0, notionalCoords[0], 0.001); + Assert.assertEquals(2.0, notionalCoords[1], 0.001); + Assert.assertEquals(3.0, notionalCoords[2], 0.001); + Assert.assertEquals(90.0, notionalCoords[3], 0.001); + Assert.assertEquals(90.0, notionalCoords[4], 0.001); + Assert.assertEquals(90.0, notionalCoords[5], 0.001); } /** * This method tests the conversion of atomic fractional coordinates to * cartesian coordinates. */ - public void testFractionalToCartesian_Vector3d_Vector3d_Vector3d_Point3d() { + @Test public void testFractionalToCartesian_Vector3d_Vector3d_Vector3d_Point3d() { Vector3d a = new Vector3d(1.0, 0.0, 0.0); Vector3d b = new Vector3d(0.0, 2.0, 0.0); Vector3d c = new Vector3d(0.0, 0.0, 3.0); @@ -131,16 +121,16 @@ Point3d cartCoord = CrystalGeometryTools.fractionalToCartesian( a, b, c, fractCoord ); - assertEquals(0.25, cartCoord.x, 0.001); - assertEquals(1.0, cartCoord.y, 0.001); - assertEquals(2.25, cartCoord.z, 0.001); + Assert.assertEquals(0.25, cartCoord.x, 0.001); + Assert.assertEquals(1.0, cartCoord.y, 0.001); + Assert.assertEquals(2.25, cartCoord.z, 0.001); } /** * This method tests the conversion of atomic fractional coordinates to * cartesian coordinates. The specific numbers are taken from 9603.res. */ - public void testFractionalToCartesian2() { + @Test public void testFractionalToCartesian2() { Vector3d[] cardAxes = CrystalGeometryTools.notionalToCartesian( 9.3323, 10.1989, 11.2477, 69.043, 74.441, 77.821 ); @@ -151,16 +141,16 @@ Point3d cartCoords = CrystalGeometryTools.fractionalToCartesian( a, b, c, new Point3d(0.517879, 0.258121, 0.698477) ); - assertEquals(7.495, cartCoords.x, 0.001); - assertEquals(4.993, cartCoords.y, 0.001); - assertEquals(7.171, cartCoords.z, 0.001); + Assert.assertEquals(7.495, cartCoords.x, 0.001); + Assert.assertEquals(4.993, cartCoords.y, 0.001); + Assert.assertEquals(7.171, cartCoords.z, 0.001); } /** * This method tests the conversion of atomic cartesian coordinates to * fractional coordinates. */ - public void testCartesianToFractional_Vector3d_Vector3d_Vector3d_Point3d() { + @Test public void testCartesianToFractional_Vector3d_Vector3d_Vector3d_Point3d() { Vector3d a = new Vector3d(1.0, 0.0, 0.0); Vector3d b = new Vector3d(0.0, 2.0, 0.0); Vector3d c = new Vector3d(0.0, 0.0, 3.0); @@ -168,71 +158,71 @@ Point3d fractCoord = CrystalGeometryTools.cartesianToFractional( a, b, c, cartCoord ); - assertEquals(0.25, fractCoord.x, 0.001); - assertEquals(0.50, fractCoord.y, 0.001); - assertEquals(0.75, fractCoord.z, 0.001); + Assert.assertEquals(0.25, fractCoord.x, 0.001); + Assert.assertEquals(0.50, fractCoord.y, 0.001); + Assert.assertEquals(0.75, fractCoord.z, 0.001); } /** * This method tests the calculation of axis lengths. */ - public void testCalcAxisLength() { + @Test public void testCalcAxisLength() { Vector3d a = new Vector3d(1.0, 1.0, 1.0); double length = a.length(); - assertEquals(Math.sqrt(3.0), length, 0.001); + Assert.assertEquals(Math.sqrt(3.0), length, 0.001); } /** * This method tests the calculation of axis lengths too, like * <code>testCalcAxisLength()</code>. */ - public void testCalcAxisLength2() { + @Test public void testCalcAxisLength2() { Vector3d a = new Vector3d(1.0, 0.0, 0.0); double length = a.length(); - assertEquals(1.0, length, 0.001); + Assert.assertEquals(1.0, length, 0.001); Vector3d b = new Vector3d(0.0, 1.0, 0.0); length = b.length(); - assertEquals(1.0, length, 0.001); + Assert.assertEquals(1.0, length, 0.001); Vector3d c = new Vector3d(0.0, 0.0, 1.0); length = c.length(); - assertEquals(1.0, length, 0.001); + Assert.assertEquals(1.0, length, 0.001); } /** * This method tests the calculation of the angle between two axes. */ - public void testCalcAngle() { + @Test public void testCalcAngle() { Vector3d b = new Vector3d(0.0, 2.0, 0.0); Vector3d c = new Vector3d(0.0, 0.0, 3.0); double angle = b.angle(c)*180.0/Math.PI; - assertEquals(90.0, angle, 0.001); + Assert.assertEquals(90.0, angle, 0.001); } /** * This method tests the calculation of the angle between two axes too. */ - public void testCalcAngle2() { + @Test public void testCalcAngle2() { Vector3d b = new Vector3d(0.0, 1.0, 1.0); Vector3d c = new Vector3d(0.0, 0.0, 1.0); double angle = b.angle(c)*180.0/Math.PI; - assertEquals(45.0, angle, 0.001); + Assert.assertEquals(45.0, angle, 0.001); } /** * This method tests the calculation of the angle between one axis * and itself, which should be zero by definition. */ - public void testCalcAngle3() { + @Test public void testCalcAngle3() { Vector3d b = new Vector3d(4.5, 3.1, 1.7); double angle = b.angle(b)*180.0/Math.PI; - assertEquals(0.0, angle, 0.001); + Assert.assertEquals(0.0, angle, 0.001); } /** * This method tests the conversion of notional coordinates to * cartesian and back to notional. */ - public void testRoundTripUnitCellNotionalCoordinates() { + @Test public void testRoundTripUnitCellNotionalCoordinates() { Vector3d[] cardAxes = CrystalGeometryTools.notionalToCartesian( 7.6, 3.9, 10.3, 67.0, 91.2, 110.5 ); @@ -242,19 +232,19 @@ double[] notionalCoords = CrystalGeometryTools.cartesianToNotional( a,b,c ); - assertEquals(7.6, notionalCoords[0], 0.001); - assertEquals(3.9, notionalCoords[1], 0.001); - assertEquals(10.3, notionalCoords[2], 0.001); - assertEquals(67.0, notionalCoords[3], 0.001); - assertEquals(91.2, notionalCoords[4], 0.001); - assertEquals(110.5, notionalCoords[5], 0.001); + Assert.assertEquals(7.6, notionalCoords[0], 0.001); + Assert.assertEquals(3.9, notionalCoords[1], 0.001); + Assert.assertEquals(10.3, notionalCoords[2], 0.001); + Assert.assertEquals(67.0, notionalCoords[3], 0.001); + Assert.assertEquals(91.2, notionalCoords[4], 0.001); + Assert.assertEquals(110.5, notionalCoords[5], 0.001); } /** * This method tests wether two times inversion of the axes * gives back the original axes. */ - public void testCalcInvertedAxes_Vector3d_Vector3d_Vector3d() { + @Test public void testCalcInvertedAxes_Vector3d_Vector3d_Vector3d() { Vector3d a = new Vector3d(3.4, 7.6, 5.5); Vector3d b = new Vector3d(2.8, 4.0, 6.3); Vector3d c = new Vector3d(1.9, 3.9, 9.1); @@ -270,15 +260,15 @@ Vector3d a3 = doubleAxes[0]; Vector3d b3 = doubleAxes[1]; Vector3d c3 = doubleAxes[2]; - assertEquals(a.x, a3.x, 0.001); - assertEquals(a.y, a3.y, 0.001); - assertEquals(a.z, a3.z, 0.001); - assertEquals(b.x, b3.x, 0.001); - assertEquals(b.y, b3.y, 0.001); - assertEquals(b.z, b3.z, 0.001); - assertEquals(c.x, c3.x, 0.001); - assertEquals(c.y, c3.y, 0.001); - assertEquals(c.z, c3.z, 0.001); + Assert.assertEquals(a.x, a3.x, 0.001); + Assert.assertEquals(a.y, a3.y, 0.001); + Assert.assertEquals(a.z, a3.z, 0.001); + Assert.assertEquals(b.x, b3.x, 0.001); + Assert.assertEquals(b.y, b3.y, 0.001); + Assert.assertEquals(b.z, b3.z, 0.001); + Assert.assertEquals(c.x, c3.x, 0.001); + Assert.assertEquals(c.y, c3.y, 0.001); + Assert.assertEquals(c.z, c3.z, 0.001); } } Modified: trunk/cdk/src/org/openscience/cdk/test/modulesuites/MstandardTests.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/test/modulesuites/MstandardTests.java 2008-01-07 15:43:20 UTC (rev 9851) +++ trunk/cdk/src/org/openscience/cdk/test/modulesuites/MstandardTests.java 2008-01-07 18:03:16 UTC (rev 9852) @@ -89,7 +89,7 @@ // before each release! suite.addTest(new JUnit4TestAdapter(AromaticityCalculatorTest.class)); suite.addTest(new JUnit4TestAdapter(DictRefTest.class)); - suite.addTest(CrystalGeometryToolsTest.suite()); + suite.addTest(new JUnit4TestAdapter(CrystalGeometryToolsTest.class)); suite.addTest(GeometryToolsTest.suite()); suite.addTest(MinimalPathIteratorTest.suite()); suite.addTest(new JUnit4TestAdapter(ConnectivityCheckerTest.class)); This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |