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.potential.bonded;
39
40 import org.junit.After;
41 import org.junit.Before;
42 import org.junit.Test;
43
44 import static org.junit.Assert.assertNotNull;
45 import static org.junit.Assert.assertTrue;
46
47 /**
48 * Unit tests for the Torsion class.
49 */
50 public class TorsionTest {
51
52 private final double[] a1d = {0.0, 0.0, 0.0};
53 private final double[] a2d = {1.0, 0.0, 0.0};
54 private final double[] a3d = {1.0, 1.0, 0.0};
55 private final double[] a4d = {1.0, 1.0, 1.0};
56 private Atom a1;
57 private Atom a2;
58 private Atom a3;
59 private Atom a4;
60 private Bond b1;
61 private Bond b2;
62 private Bond b3;
63 private Torsion torsion = null;
64
65 @Test(timeout = 500)
66 public void Torsion_constructor() {
67 torsion = new Torsion(b1, b2, b3);
68 assertNotNull(torsion);
69 }
70
71 @Before
72 public void setUp() {
73 a1 = new Atom("A1");
74 a1.setXYZ(a1d);
75 a2 = new Atom("A2");
76 a2.setXYZ(a2d);
77 a3 = new Atom("A3");
78 a3.setXYZ(a3d);
79 a4 = new Atom("A4");
80 a4.setXYZ(a4d);
81 assertNotNull(a1);
82 assertNotNull(a2);
83 assertNotNull(a3);
84 assertNotNull(a4);
85 b1 = new Bond(a1, a2);
86 b2 = new Bond(a2, a3);
87 b3 = new Bond(a3, a4);
88 assertNotNull(b1);
89 assertNotNull(b2);
90 assertNotNull(b3);
91 }
92
93 @After
94 public void tearDown() {
95 assertTrue(a1.destroy());
96 assertTrue(a2.destroy());
97 assertTrue(a3.destroy());
98 assertTrue(a4.destroy());
99 assertTrue(b1.destroy());
100 assertTrue(b2.destroy());
101 assertTrue(b3.destroy());
102 assertTrue(torsion.destroy());
103 a1 = null;
104 a2 = null;
105 a3 = null;
106 a4 = null;
107 b1 = null;
108 b2 = null;
109 b3 = null;
110 torsion = null;
111 }
112 }