1 // ****************************************************************************** 2 // 3 // Title: Force Field X. 4 // Description: Force Field X - Software for Molecular Biophysics. 5 // Copyright: Copyright (c) Michael J. Schnieders 2001-2024. 6 // 7 // This file is part of Force Field X. 8 // 9 // Force Field X is free software; you can redistribute it and/or modify it 10 // under the terms of the GNU General Public License version 3 as published by 11 // the Free Software Foundation. 12 // 13 // Force Field X is distributed in the hope that it will be useful, but WITHOUT 14 // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS 15 // FOR A PARTICULAR PURPOSE. See the GNU General Public License for more 16 // details. 17 // 18 // You should have received a copy of the GNU General Public License along with 19 // Force Field X; if not, write to the Free Software Foundation, Inc., 59 Temple 20 // Place, Suite 330, Boston, MA 02111-1307 USA 21 // 22 // Linking this library statically or dynamically with other modules is making a 23 // combined work based on this library. Thus, the terms and conditions of the 24 // GNU General Public License cover the whole combination. 25 // 26 // As a special exception, the copyright holders of this library give you 27 // permission to link this library with independent modules to produce an 28 // executable, regardless of the license terms of these independent modules, and 29 // to copy and distribute the resulting executable under terms of your choice, 30 // provided that you also meet, for each linked independent module, the terms 31 // and conditions of the license of that module. An independent module is a 32 // module which is not derived from or based on this library. If you modify this 33 // library, you may extend this exception to your version of the library, but 34 // you are not obligated to do so. If you do not wish to do so, delete this 35 // exception statement from your version. 36 // 37 // ****************************************************************************** 38 package ffx.numerics.math; 39 40 import static java.lang.Math.sqrt; 41 import static org.junit.Assert.assertEquals; 42 43 import java.util.Arrays; 44 import java.util.Collection; 45 46 import ffx.utilities.FFXTest; 47 import org.junit.Test; 48 import org.junit.runner.RunWith; 49 import org.junit.runners.Parameterized; 50 import org.junit.runners.Parameterized.Parameters; 51 52 /** @author Michael J. Schnieders */ 53 @RunWith(Parameterized.class) 54 public class SquareRootTest extends FFXTest { 55 56 private static final double tolerance = 1.0e-13; 57 private final String info; 58 private final double x; 59 60 public SquareRootTest(String info, double x) { 61 this.info = info; 62 this.x = x; 63 } 64 65 /** The expected values are found using java.lang.Math.sqrt. */ 66 @Parameters 67 public static Collection<Object[]> data() { 68 return Arrays.asList( 69 new Object[][] { 70 {"Test 1.0e-2", 1.0e-2}, 71 {"Test 1.0e-1", 1.0e-1}, 72 {"Test 1.0e0", 1.0e0}, 73 {"Test 1.0e1", 1.0e1}, 74 {"Test 1.0e2", 1.0e2}, 75 }); 76 } 77 78 /** Test inverse sqrt method, of class InverseSqrt. */ 79 @Test 80 public void testInverseSqrt() { 81 for (int i = 0; i < 100; i++) { 82 double increment = i * x / 10.0; 83 double actual = SquareRoot.isqrt(x + increment); 84 double expected = 1.0 / sqrt(x + increment); 85 assertEquals(info + " + " + increment, expected, actual, tolerance); 86 } 87 } 88 89 /** Test sqrt method, of class InverseSqrt. */ 90 @Test 91 public void testSqrt() { 92 for (int i = 0; i < 1000; i++) { 93 double increment = i * x / 100.0; 94 double actual = SquareRoot.sqrt(x + increment); 95 double expected = sqrt(x + increment); 96 assertEquals(info + " + " + increment, expected, actual, tolerance); 97 } 98 } 99 }