| 1 | //
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| 2 | // array.cc
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| 3 | //
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| 4 | // Copyright (C) 1996 Limit Point Systems, Inc.
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| 5 | //
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| 6 | // Author: Curtis Janssen <cljanss@limitpt.com>
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| 7 | // Maintainer: LPS
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| 8 | //
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| 9 | // This file is part of the SC Toolkit.
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| 10 | //
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| 11 | // The SC Toolkit is free software; you can redistribute it and/or modify
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| 12 | // it under the terms of the GNU Library General Public License as published by
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| 13 | // the Free Software Foundation; either version 2, or (at your option)
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| 14 | // any later version.
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| 15 | //
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| 16 | // The SC Toolkit is distributed in the hope that it will be useful,
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| 17 | // but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 18 | // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 19 | // GNU Library General Public License for more details.
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| 20 | //
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| 21 | // You should have received a copy of the GNU Library General Public License
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| 22 | // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
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| 23 | // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
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| 24 | //
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| 25 | // The U.S. Government is granted a limited license as per AL 91-7.
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| 26 | //
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| 27 |
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| 28 | #ifdef __GNUC__
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| 29 | #pragma implementation
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| 30 | #endif
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| 31 |
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| 32 | #include <stdlib.h>
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| 33 | #include <util/misc/exenv.h>
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| 34 | #include <chemistry/qc/intv3/array.h>
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| 35 |
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| 36 | using namespace std;
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| 37 | using namespace sc;
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| 38 |
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| 39 | static void
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| 40 | no_storage(const char *msg)
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| 41 | {
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| 42 | ExEnv::errn() << msg << ": ran out of memory" << endl;
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| 43 | abort();
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| 44 | }
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| 45 |
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| 46 | ////////////////////////////////////////////////////////////////////////////
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| 47 |
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| 48 | IntV3Arraydouble2::IntV3Arraydouble2()
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| 49 | {
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| 50 | n1_ = n2_ = 0;
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| 51 | data_ = 0;
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| 52 | }
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| 53 |
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| 54 | IntV3Arraydouble2::~IntV3Arraydouble2()
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| 55 | {
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| 56 | for (int i=0; i<n1_; i++) {
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| 57 | delete[] data_[i];
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| 58 | }
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| 59 | delete[] data_;
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| 60 | }
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| 61 |
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| 62 | void
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| 63 | IntV3Arraydouble2::set_dim(int n1, int n2)
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| 64 | {
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| 65 | n1_ = n1;
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| 66 | n2_ = n2;
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| 67 | data_ = new double*[n1_];
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| 68 | if (data_ == 0) no_storage("IntV3Arraydouble2");
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| 69 | for (int i=0; i<n1_; i++) {
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| 70 | data_[i] = new double[n2_];
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| 71 | if (data_[i] == 0) no_storage("IntV3Arraydouble2");
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| 72 | }
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| 73 | }
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| 74 |
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| 75 | void
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| 76 | IntV3Arraydouble2::print(ostream &o)
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| 77 | {
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| 78 | for (int i=0; i<n1_; i++) {
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| 79 | o << "i = " << i << endl;
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| 80 | for (int j=0; j<n2_; j++) {
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| 81 | o << data_[i][j];
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| 82 | }
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| 83 | o << endl;
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| 84 | }
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| 85 | }
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| 86 |
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| 87 | int
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| 88 | IntV3Arraydouble2::nbyte() const
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| 89 | {
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| 90 | return n1_ * (sizeof(double*) + n2_ * sizeof(double));
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| 91 | }
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| 92 |
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| 93 | ////////////////////////////////////////////////////////////////////////////
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| 94 |
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| 95 | IntV3Arraydouble3::IntV3Arraydouble3()
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| 96 | {
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| 97 | n1_ = n2_ = n3_ = 0;
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| 98 | data_ = 0;
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| 99 | }
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| 100 |
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| 101 | IntV3Arraydouble3::~IntV3Arraydouble3()
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| 102 | {
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| 103 | for (int i=0; i<n1_; i++) {
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| 104 | for (int j=0; j<n2_; j++) {
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| 105 | delete[] data_[i][j];
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| 106 | }
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| 107 | delete[] data_[i];
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| 108 | }
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| 109 | delete[] data_;
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| 110 | }
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| 111 |
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| 112 | void
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| 113 | IntV3Arraydouble3::set_dim(int n1, int n2, int n3)
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| 114 | {
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| 115 | n1_ = n1;
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| 116 | n2_ = n2;
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| 117 | n3_ = n3;
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| 118 | data_ = new double**[n1_];
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| 119 | if (data_ == 0) no_storage("IntV3Arraydouble3");
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| 120 | for (int i=0; i<n1_; i++) {
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| 121 | data_[i] = new double*[n2_];
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| 122 | if (data_[i] == 0) no_storage("IntV3Arraydouble3");
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| 123 | for (int j=0; j<n2_; j++) {
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| 124 | data_[i][j] = new double[n3_];
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| 125 | if (data_[i][j] == 0) no_storage("IntV3Arraydouble3");
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| 126 | }
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| 127 | }
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| 128 | }
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| 129 |
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| 130 | void
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| 131 | IntV3Arraydouble3::print(ostream &o)
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| 132 | {
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| 133 | for (int i=0; i<n1_; i++) {
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| 134 | for (int j=0; j<n2_; j++) {
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| 135 | o << "i, j = " << i << j << endl;
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| 136 | for (int k=0; k<n3_; k++) {
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| 137 | o << data_[i][j][k];
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| 138 | }
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| 139 | }
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| 140 | o << endl;
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| 141 | }
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| 142 | }
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| 143 |
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| 144 | int
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| 145 | IntV3Arraydouble3::nbyte() const
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| 146 | {
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| 147 | return n1_*(sizeof(double**) + n2_*(sizeof(double*) + n3_*sizeof(double)));
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| 148 | }
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| 149 |
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| 150 | ////////////////////////////////////////////////////////////////////////////
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| 151 |
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| 152 | IntV3Arraydoublep2::IntV3Arraydoublep2()
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| 153 | {
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| 154 | n1_ = n2_ = 0;
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| 155 | data_ = 0;
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| 156 | }
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| 157 |
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| 158 | IntV3Arraydoublep2::~IntV3Arraydoublep2()
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| 159 | {
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| 160 | for (int i=0; i<n1_; i++) {
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| 161 | delete[] data_[i];
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| 162 | }
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| 163 | delete[] data_;
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| 164 | }
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| 165 |
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| 166 | void
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| 167 | IntV3Arraydoublep2::set_dim(int n1, int n2)
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| 168 | {
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| 169 | n1_ = n1;
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| 170 | n2_ = n2;
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| 171 | data_ = new double**[n1_];
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| 172 | if (data_ == 0) no_storage("IntV3Arraydoublep2");
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| 173 | for (int i=0; i<n1_; i++) {
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| 174 | data_[i] = new double*[n2_];
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| 175 | if (data_[i] == 0) no_storage("IntV3Arraydoublep2");
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| 176 | }
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| 177 | }
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| 178 |
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| 179 | void
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| 180 | IntV3Arraydoublep2::print(ostream &o)
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| 181 | {
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| 182 | for (int i=0; i<n1_; i++) {
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| 183 | o << "i = " << i << endl;
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| 184 | for (int j=0; j<n2_; j++) {
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| 185 | o << data_[i][j];
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| 186 | }
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| 187 | o << endl;
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| 188 | }
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| 189 | }
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| 190 |
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| 191 | int
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| 192 | IntV3Arraydoublep2::nbyte() const
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| 193 | {
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| 194 | return n1_*(sizeof(double**)
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| 195 | + n2_*(sizeof(double*)));
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| 196 | }
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| 197 |
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| 198 | ////////////////////////////////////////////////////////////////////////////
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| 199 |
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| 200 | IntV3Arraydoublep3::IntV3Arraydoublep3()
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| 201 | {
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| 202 | n1_ = n2_ = n3_ = 0;
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| 203 | data_ = 0;
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| 204 | }
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| 205 |
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| 206 | IntV3Arraydoublep3::~IntV3Arraydoublep3()
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| 207 | {
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| 208 | for (int i=0; i<n1_; i++) {
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| 209 | for (int j=0; j<n2_; j++) {
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| 210 | delete[] data_[i][j];
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| 211 | }
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| 212 | delete[] data_[i];
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| 213 | }
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| 214 | delete[] data_;
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| 215 | }
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| 216 |
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| 217 | void
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| 218 | IntV3Arraydoublep3::set_dim(int n1, int n2, int n3)
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| 219 | {
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| 220 | n1_ = n1;
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| 221 | n2_ = n2;
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| 222 | n3_ = n3;
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| 223 | data_ = new double***[n1_];
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| 224 | if (data_ == 0) no_storage("IntV3Arraydoublep3");
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| 225 | for (int i=0; i<n1_; i++) {
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| 226 | data_[i] = new double**[n2_];
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| 227 | if (data_[i] == 0) no_storage("IntV3Arraydoublep3");
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| 228 | for (int j=0; j<n2_; j++) {
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| 229 | data_[i][j] = new double*[n3_];
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| 230 | if (data_[i][j] == 0) no_storage("IntV3Arraydoublep3");
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| 231 | }
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| 232 | }
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| 233 | }
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| 234 |
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| 235 | void
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| 236 | IntV3Arraydoublep3::delete_data()
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| 237 | {
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| 238 | for (int i=0; i<n1_; i++) {
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| 239 | double ***datai = data_[i];
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| 240 | for (int j=0; j<n2_; j++) {
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| 241 | double **dataj = datai[j];
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| 242 | for (int k=0; k<n3_; k++) {
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| 243 | delete[] dataj[k];
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| 244 | }
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| 245 | }
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| 246 | }
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| 247 | }
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| 248 |
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| 249 | void
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| 250 | IntV3Arraydoublep3::print(ostream &o)
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| 251 | {
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| 252 | for (int i=0; i<n1_; i++) {
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| 253 | for (int j=0; j<n2_; j++) {
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| 254 | o << "i, j = " << i << j << endl;
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| 255 | for (int k=0; k<n3_; k++) {
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| 256 | o << data_[i][j][k];
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| 257 | }
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| 258 | o << endl;
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| 259 | }
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| 260 | }
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| 261 | }
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| 262 |
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| 263 | int
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| 264 | IntV3Arraydoublep3::nbyte() const
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| 265 | {
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| 266 | return n1_*(sizeof(double***)
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| 267 | + n2_*(sizeof(double**)
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| 268 | + n3_*sizeof(double*)));
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| 269 | }
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| 270 |
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| 271 | ////////////////////////////////////////////////////////////////////////////
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| 272 |
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| 273 | IntV3Arraydoublep4::IntV3Arraydoublep4()
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| 274 | {
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| 275 | n1_ = n2_ = n3_ = n4_ = 0;
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| 276 | data_ = 0;
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| 277 | }
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| 278 |
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| 279 | IntV3Arraydoublep4::~IntV3Arraydoublep4()
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| 280 | {
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| 281 | for (int i=0; i<n1_; i++) {
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| 282 | for (int j=0; j<n2_; j++) {
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| 283 | for (int k=0; k<n3_; k++) {
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| 284 | delete[] data_[i][j][k];
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| 285 | }
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| 286 | delete[] data_[i][j];
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| 287 | }
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| 288 | delete[] data_[i];
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| 289 | }
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| 290 | delete[] data_;
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| 291 | data_=0;
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| 292 | }
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| 293 |
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| 294 | void
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| 295 | IntV3Arraydoublep4::set_dim(int n1, int n2, int n3, int n4)
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| 296 | {
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| 297 | if (data_) {
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| 298 | for (int i=0; i<n1_; i++) {
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| 299 | for (int j=0; j<n2_; j++) {
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| 300 | for (int k=0; k<n3_; k++) {
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| 301 | delete[] data_[i][j][k];
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| 302 | }
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| 303 | delete[] data_[i][j];
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| 304 | }
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| 305 | delete[] data_[i];
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| 306 | }
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| 307 | delete[] data_;
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| 308 | }
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| 309 | n1_ = n1;
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| 310 | n2_ = n2;
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| 311 | n3_ = n3;
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| 312 | n4_ = n4;
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| 313 | data_ = new double****[n1_];
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| 314 | if (data_ == 0) no_storage("IntV3Arraydoublep4");
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| 315 | for (int i=0; i<n1_; i++) {
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| 316 | data_[i] = new double***[n2_];
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| 317 | if (data_[i] == 0) no_storage("IntV3Arraydoublep4");
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| 318 | for (int j=0; j<n2_; j++) {
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| 319 | data_[i][j] = new double**[n3_];
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| 320 | if (data_[i][j] == 0) no_storage("IntV3Arraydoublep4");
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| 321 | for (int k=0; k<n3_ ;k++) {
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| 322 | data_[i][j][k] = new double*[n4_];
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| 323 | if (data_[i][j][k] == 0) no_storage("IntV3Arraydoublep4");
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| 324 | }
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| 325 | }
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| 326 | }
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| 327 | }
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| 328 |
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| 329 | void
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| 330 | IntV3Arraydoublep4::print(ostream &o)
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| 331 | {
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| 332 | for (int i=0; i<n1_; i++) {
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| 333 | for (int j=0; j<n2_; j++) {
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| 334 | for (int k=0; k<n3_; k++) {
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| 335 | o << "i, j, k = " << i << j << k << endl;
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| 336 | for (int l=0; l<n4_; l++) {
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| 337 | o << data_[i][j][k][l];
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| 338 | }
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| 339 | o << endl;
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| 340 | }
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| 341 | }
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| 342 | }
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| 343 | }
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| 344 |
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| 345 | int
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| 346 | IntV3Arraydoublep4::nbyte() const
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| 347 | {
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| 348 | return n1_*(sizeof(double****)
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| 349 | + n2_*(sizeof(double***)
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| 350 | + n3_*(sizeof(double**)
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| 351 | + n4_*sizeof(double*))));
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| 352 | }
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| 353 |
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| 354 | ////////////////////////////////////////////////////////////////////////////
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| 355 |
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| 356 | IntV3Arrayint3::IntV3Arrayint3()
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| 357 | {
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| 358 | n1_ = n2_ = n3_ = 0;
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| 359 | data_ = 0;
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| 360 | }
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| 361 |
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| 362 | IntV3Arrayint3::~IntV3Arrayint3()
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| 363 | {
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| 364 | for (int i=0; i<n1_; i++) {
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| 365 | for (int j=0; j<n2_; j++) {
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| 366 | delete[] data_[i][j];
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| 367 | }
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| 368 | delete[] data_[i];
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| 369 | }
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| 370 | delete[] data_;
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| 371 | }
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| 372 |
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| 373 | void
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| 374 | IntV3Arrayint3::set_dim(int n1, int n2, int n3)
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| 375 | {
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| 376 | n1_ = n1;
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| 377 | n2_ = n2;
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| 378 | n3_ = n3;
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| 379 | data_ = new int**[n1_];
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| 380 | if (data_ == 0) no_storage("IntV3Arrayint3");
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| 381 | for (int i=0; i<n1_; i++) {
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| 382 | data_[i] = new int*[n2_];
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| 383 | if (data_[i] == 0) no_storage("IntV3Arrayint3");
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| 384 | for (int j=0; j<n2_; j++) {
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| 385 | data_[i][j] = new int[n3_];
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| 386 | if (data_[i][j] == 0) no_storage("IntV3Arrayint3");
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| 387 | }
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| 388 | }
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| 389 | }
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| 390 |
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| 391 | void
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| 392 | IntV3Arrayint3::print(ostream &o)
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| 393 | {
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| 394 | for (int i=0; i<n1_; i++) {
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| 395 | for (int j=0; j<n2_; j++) {
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| 396 | o << "i, j = " << i << j << endl;
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| 397 | for (int k=0; k<n3_; k++) {
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| 398 | o << data_[i][j][k];
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| 399 | }
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| 400 | o << endl;
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| 401 | }
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| 402 | }
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| 403 | }
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| 404 |
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| 405 | int
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| 406 | IntV3Arrayint3::nbyte() const
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| 407 | {
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| 408 | return n1_*(sizeof(int**)
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| 409 | + n2_*(sizeof(int*)
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| 410 | + n3_*sizeof(int)));
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| 411 | }
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| 412 |
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| 413 | ////////////////////////////////////////////////////////////////////////////
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| 414 |
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| 415 | IntV3Arrayint4::IntV3Arrayint4()
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| 416 | {
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| 417 | n1_ = n2_ = n3_ = n4_ = 0;
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| 418 | data_ = 0;
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| 419 | }
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| 420 |
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| 421 | IntV3Arrayint4::~IntV3Arrayint4()
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| 422 | {
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| 423 | for (int i=0; i<n1_; i++) {
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| 424 | for (int j=0; j<n2_; j++) {
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| 425 | for (int k=0; k<n3_; k++) {
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| 426 | delete[] data_[i][j][k];
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| 427 | }
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| 428 | delete[] data_[i][j];
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| 429 | }
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| 430 | delete[] data_[i];
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| 431 | }
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| 432 | delete[] data_;
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| 433 | }
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| 434 |
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| 435 | void
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| 436 | IntV3Arrayint4::set_dim(int n1, int n2, int n3, int n4)
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| 437 | {
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| 438 | n1_ = n1;
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| 439 | n2_ = n2;
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| 440 | n3_ = n3;
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| 441 | n4_ = n4;
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| 442 | data_ = new int***[n1_];
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| 443 | if (data_ == 0) no_storage("IntV3Arrayint4");
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| 444 | for (int i=0; i<n1_; i++) {
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| 445 | data_[i] = new int**[n2_];
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| 446 | if (data_[i] == 0) no_storage("IntV3Arrayint4");
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|---|
| 447 | for (int j=0; j<n2_; j++) {
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|---|
| 448 | data_[i][j] = new int*[n3_];
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|---|
| 449 | if (data_[i][j] == 0) no_storage("IntV3Arrayint4");
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|---|
| 450 | for (int k=0; k<n3_ ;k++) {
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|---|
| 451 | data_[i][j][k] = new int[n4_];
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|---|
| 452 | if (data_[i][j][k] == 0) no_storage("IntV3Arrayint4");
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|---|
| 453 | }
|
|---|
| 454 | }
|
|---|
| 455 | }
|
|---|
| 456 | }
|
|---|
| 457 |
|
|---|
| 458 | void
|
|---|
| 459 | IntV3Arrayint4::print(ostream &o)
|
|---|
| 460 | {
|
|---|
| 461 | for (int i=0; i<n1_; i++) {
|
|---|
| 462 | for (int j=0; j<n2_; j++) {
|
|---|
| 463 | for (int k=0; k<n3_; k++) {
|
|---|
| 464 | o << "i, j, k = " << i << j << k << endl;
|
|---|
| 465 | for (int l=0; l<n4_; l++) {
|
|---|
| 466 | o << data_[i][j][k][l];
|
|---|
| 467 | }
|
|---|
| 468 | o << endl;
|
|---|
| 469 | }
|
|---|
| 470 | }
|
|---|
| 471 | }
|
|---|
| 472 | }
|
|---|
| 473 |
|
|---|
| 474 | int
|
|---|
| 475 | IntV3Arrayint4::nbyte() const
|
|---|
| 476 | {
|
|---|
| 477 | return n1_*(sizeof(int***)
|
|---|
| 478 | + n2_*(sizeof(int**)
|
|---|
| 479 | + n3_*(sizeof(int*)
|
|---|
| 480 | + n4_*sizeof(int))));
|
|---|
| 481 | }
|
|---|
| 482 |
|
|---|
| 483 | /////////////////////////////////////////////////////////////////////////////
|
|---|
| 484 |
|
|---|
| 485 | // Local Variables:
|
|---|
| 486 | // mode: c++
|
|---|
| 487 | // c-file-style: "CLJ"
|
|---|
| 488 | // End:
|
|---|