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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 static org.junit.Assert.assertEquals;
41  import static org.junit.Assert.assertNotNull;
42  import static org.junit.Assert.assertNull;
43  import static org.junit.Assert.assertTrue;
44  
45  import org.junit.After;
46  import org.junit.Before;
47  import org.junit.Test;
48  
49  /** Unit tests for the Angle class. */
50  public class AngleTest {
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 final double[] a5d = {1.0, 1.0, 2.0};
57    private Atom a1;
58    private Atom a2;
59    private Atom a3;
60    private Atom a4;
61    private Atom a5;
62    private Bond b1;
63    private Bond b2;
64    private Bond b3;
65    private Bond b4;
66    private Angle angle;
67    private Angle angle2;
68    private Angle angle3;
69  
70    @Test(timeout = 500)
71    public void Angle_getCommonBond() {
72      Bond expectedReturn = b2;
73      Bond actualReturn = angle.getCommonBond(angle2);
74      assertEquals("return value", expectedReturn, actualReturn);
75      actualReturn = angle.getCommonBond(null);
76      assertNull(actualReturn);
77      actualReturn = angle.getCommonBond(angle3);
78      assertNull(actualReturn);
79    }
80  
81    @Test(timeout = 500)
82    public void Angle_getOtherBond() {
83      Bond expectedReturn = b2;
84      Bond actualReturn = angle.getOtherBond(b1);
85      assertEquals("return value", expectedReturn, actualReturn);
86      expectedReturn = b1;
87      actualReturn = angle.getOtherBond(b2);
88      assertEquals("return value", expectedReturn, actualReturn);
89      actualReturn = angle.getOtherBond(null);
90      assertNull("return value", actualReturn);
91      actualReturn = angle.getOtherBond(b3);
92      assertNull("return value", actualReturn);
93    }
94  
95    @Before
96    public void setUp() {
97      a1 = new Atom("A1");
98      a1.setXYZ(a1d);
99      a2 = new Atom("A2");
100     a2.setXYZ(a2d);
101     a3 = new Atom("A3");
102     a3.setXYZ(a3d);
103     a4 = new Atom("A4");
104     a4.setXYZ(a4d);
105     a5 = new Atom("A5");
106     a5.setXYZ(a5d);
107     b1 = new Bond(a1, a2);
108     b2 = new Bond(a2, a3);
109     b3 = new Bond(a3, a4);
110     b4 = new Bond(a4, a5);
111     angle = new Angle(b1, b2);
112     assertNotNull(angle);
113     angle2 = new Angle(b2, b3);
114     assertNotNull(angle2);
115     angle3 = new Angle(b3, b4);
116     assertNotNull(angle3);
117   }
118 
119   @After
120   public void tearDown() {
121     assertTrue(a1.destroy());
122     assertTrue(a2.destroy());
123     assertTrue(a3.destroy());
124     assertTrue(a4.destroy());
125     assertTrue(a5.destroy());
126     assertTrue(b1.destroy());
127     assertTrue(b2.destroy());
128     assertTrue(b3.destroy());
129     assertTrue(b4.destroy());
130     a1 = null;
131     a2 = null;
132     a3 = null;
133     a4 = null;
134     a5 = null;
135     b1 = null;
136     b2 = null;
137     b3 = null;
138     assertTrue(angle.destroy());
139     assertTrue(angle2.destroy());
140     assertTrue(angle3.destroy());
141     angle = null;
142     angle2 = null;
143     angle3 = null;
144   }
145 }