1 // ****************************************************************************** 2 // 3 // Title: Force Field X. 4 // Description: Force Field X - Software for Molecular Biophysics. 5 // Copyright: Copyright (c) Michael J. Schnieders 2001-2025. 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 }