View Javadoc
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  }