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.openmm;
39
40 import com.sun.jna.ptr.PointerByReference;
41
42 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_3D_DoubleArray_create;
43 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_3D_DoubleArray_destroy;
44 import static edu.uiowa.jopenmm.OpenMMAmoebaLibrary.OpenMM_3D_DoubleArray_set;
45
46 /**
47 * DoubleArray3D.
48 */
49 public class DoubleArray3D {
50
51 private PointerByReference pointer;
52
53 /**
54 * Constructor.
55 *
56 * @param d1 The size of the first dimension.
57 * @param d2 The size of the second dimension.
58 * @param d3 The size of the third dimension.
59 */
60 public DoubleArray3D(int d1, int d2, int d3) {
61 pointer = OpenMM_3D_DoubleArray_create(d1, d2, d3);
62 }
63
64 /**
65 * Set the value of the array at the given index.
66 *
67 * @param d1 The first dimension index.
68 * @param d2 The second dimension index.
69 * @param value The value to set.
70 */
71 public void set(int d1, int d2, DoubleArray value) {
72 OpenMM_3D_DoubleArray_set(pointer, d1, d2, value.getPointer());
73 }
74
75 /**
76 * Destroy the array.
77 */
78 public void destroy() {
79 if (pointer != null) {
80 OpenMM_3D_DoubleArray_destroy(pointer);
81 pointer = null;
82 }
83 }
84
85
86 /**
87 * Get the pointer to the array.
88 *
89 * @return The pointer.
90 */
91 public PointerByReference getPointer() {
92 return pointer;
93 }
94
95 }