1 | /*
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2 | * Project: MoleCuilder
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3 | * Description: creates and alters molecular systems
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4 | * Copyright (C) 2014 Frederik Heber. All rights reserved.
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5 | *
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6 | *
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7 | * This file is part of MoleCuilder.
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8 | *
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9 | * MoleCuilder is free software: you can redistribute it and/or modify
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10 | * it under the terms of the GNU General Public License as published by
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11 | * the Free Software Foundation, either version 2 of the License, or
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12 | * (at your option) any later version.
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13 | *
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14 | * MoleCuilder is distributed in the hope that it will be useful,
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15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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17 | * GNU General Public License for more details.
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18 | *
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19 | * You should have received a copy of the GNU General Public License
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20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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21 | */
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22 |
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23 | /*
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24 | * SphericalPointDistribution_getConnections.cpp
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25 | *
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26 | * Created on: Jul 12, 2014
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27 | * Author: heber
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28 | */
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29 |
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30 | // include config.h
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31 | #ifdef HAVE_CONFIG_H
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32 | #include <config.h>
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33 | #endif
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34 |
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35 | //#include "CodePatterns/MemDebug.hpp"
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36 |
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37 | #include "SphericalPointDistribution.hpp"
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38 |
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39 | #include "CodePatterns/Assert.hpp"
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40 |
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41 | #include <boost/assign.hpp>
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42 |
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43 | using namespace std;
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44 | using namespace boost::assign;
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45 |
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46 | typedef SphericalPointDistribution::IndexSet_t IndexSet_t;
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47 |
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48 | template <>
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49 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<0>()
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50 | {
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51 | adjacency_t adjacency;
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52 | ASSERT( adjacency.size() == 0,
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53 | "SphericalPointDistribution::getConnections<0>() - adjacency has wrong size.");
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54 | return adjacency;
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55 | }
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56 |
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57 | template <>
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58 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<1>()
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59 | {
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60 | adjacency_t adjacency;
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61 | ASSERT( adjacency.size() == 0,
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62 | "SphericalPointDistribution::getConnections<1>() - adjacency has wrong size.");
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63 | return adjacency;
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64 | }
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65 |
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66 | template <>
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67 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<2>()
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68 | {
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69 | adjacency_t adjacency;
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70 | adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(1) );
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71 | adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(0) );
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72 | ASSERT( adjacency.size() == 2,
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73 | "SphericalPointDistribution::getConnections<2>() - adjacency has wrong size.");
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74 | return adjacency;
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75 | }
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76 |
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77 | template <>
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78 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<3>()
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79 | {
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80 | adjacency_t adjacency;
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81 | adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(1)(2) );
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82 | adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(0)(2) );
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83 | adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1) );
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84 | ASSERT( adjacency.size() == 3,
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85 | "SphericalPointDistribution::getConnections<3>() - adjacency has wrong size.");
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86 | return adjacency;
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87 | }
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88 |
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89 | template <>
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90 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<4>()
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91 | {
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92 | adjacency_t adjacency;
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93 | adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(1)(2)(3) );
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94 | adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(0)(2)(3) );
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95 | adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1)(3) );
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96 | adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(1)(2) );
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97 | ASSERT( adjacency.size() == 4,
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98 | "SphericalPointDistribution::getConnections<4>() - adjacency has wrong size.");
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99 | return adjacency;
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100 | }
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101 |
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102 | template <>
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103 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<5>()
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104 | {
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105 | adjacency_t adjacency;
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106 | adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4) );
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107 | adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(2)(3)(4) );
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108 | adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1)(3)(4) );
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109 | adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(1)(2)(4) );
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110 | adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(1)(2)(3) );
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111 | ASSERT( adjacency.size() == 5,
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112 | "SphericalPointDistribution::getConnections<5>() - adjacency has wrong size.");
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113 | return adjacency;
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114 | }
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115 |
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116 | template <>
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117 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<6>()
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118 | {
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119 | adjacency_t adjacency;
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120 | adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4)(5) );
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121 | adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(2)(3)(4)(5) );
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122 | adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1)(4)(5) );
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123 | adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(1)(4)(5) );
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124 | adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(1)(2)(3) );
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125 | adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(1)(2)(3) );
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126 | ASSERT( adjacency.size() == 6,
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127 | "SphericalPointDistribution::getConnections<6>() - adjacency has wrong size.");
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128 | return adjacency;
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129 | }
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130 |
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131 | template <>
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132 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<7>()
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133 | {
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134 | adjacency_t adjacency;
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135 | adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4)(5)(6) );
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136 | adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(2)(3)(4)(5)(6) );
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137 | adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1)(3)(6) );
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138 | adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(1)(2)(4) );
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139 | adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(1)(3)(5) );
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140 | adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(1)(4)(6) );
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141 | adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(0)(1)(2)(5) );
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142 | ASSERT( adjacency.size() == 7,
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143 | "SphericalPointDistribution::getConnections<7>() - adjacency has wrong size.");
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144 | return adjacency;
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145 | }
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146 |
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147 | template <>
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148 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<8>()
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149 | {
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150 | adjacency_t adjacency;
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151 | adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4)(5)(6)(7) );
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152 | adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(2)(3)(4)(5) );
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153 | adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1)(3)(4)(6)(7) );
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154 | adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(1)(2)(5)(7) );
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155 | adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(1)(2)(5)(6) );
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156 | adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(1)(3)(4) );
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157 | adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(0)(2)(4) );
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158 | adjacency += make_pair<unsigned int, IndexSet_t >( 7, list_of<unsigned int>(0)(2)(3) );
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159 | ASSERT( adjacency.size() == 8,
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160 | "SphericalPointDistribution::getConnections<8>() - adjacency has wrong size.");
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161 | return adjacency;
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162 | }
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163 |
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164 | template <>
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165 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<9>()
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166 | {
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167 | adjacency_t adjacency;
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168 | adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(1)(2)(3)(4) );
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169 | adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(0)(3)(4)(5)(6) );
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170 | adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(3)(4)(7)(8) );
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171 | adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(1)(2)(5)(8) );
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172 | adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(1)(2)(6)(7) );
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173 | adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(1)(3)(6)(7)(8) );
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174 | adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(1)(4)(5)(7) );
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175 | adjacency += make_pair<unsigned int, IndexSet_t >( 7, list_of<unsigned int>(2)(4)(5)(6)(8) );
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176 | adjacency += make_pair<unsigned int, IndexSet_t >( 8, list_of<unsigned int>(2)(3)(5)(7) );
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177 | ASSERT( adjacency.size() == 9,
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178 | "SphericalPointDistribution::getConnections<9>() - adjacency has wrong size.");
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179 | return adjacency;
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180 | }
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181 |
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182 | template <>
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183 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<10>()
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184 | {
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185 | adjacency_t adjacency;
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186 | adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4)(5) );
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187 | adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(6)(7)(8)(9) );
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188 | adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(4)(5)(6)(7) );
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189 | adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(4)(5)(8)(9) );
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190 | adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(2)(3)(6)(9) );
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191 | adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(2)(3)(7)(8) );
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192 | adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(1)(2)(4)(7)(9) );
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193 | adjacency += make_pair<unsigned int, IndexSet_t >( 7, list_of<unsigned int>(1)(2)(5)(6)(8) );
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194 | adjacency += make_pair<unsigned int, IndexSet_t >( 8, list_of<unsigned int>(1)(3)(5)(7)(9) );
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195 | adjacency += make_pair<unsigned int, IndexSet_t >( 9, list_of<unsigned int>(1)(3)(4)(6)(8) );
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196 | ASSERT( adjacency.size() == 10,
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197 | "SphericalPointDistribution::getConnections<10>() - adjacency has wrong size.");
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198 | return adjacency;
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199 | }
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200 |
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201 | template <>
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202 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<11>()
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203 | {
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204 | adjacency_t adjacency;
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205 | adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(1)(2)(3)(4)(5) );
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206 | adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(0)(2)(5)(6)(10) );
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207 | adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1)(3)(6)(7) );
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208 | adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(2)(4)(7)(8) );
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209 | adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(3)(5)(8)(9) );
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210 | adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(1)(4)(9)(10) );
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211 | adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(1)(2)(7)(8)(9)(10) );
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212 | adjacency += make_pair<unsigned int, IndexSet_t >( 7, list_of<unsigned int>(2)(3)(6)(8) );
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213 | adjacency += make_pair<unsigned int, IndexSet_t >( 8, list_of<unsigned int>(3)(4)(6)(7)(9) );
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214 | adjacency += make_pair<unsigned int, IndexSet_t >( 9, list_of<unsigned int>(4)(5)(6)(8)(10) );
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215 | adjacency += make_pair<unsigned int, IndexSet_t >( 10, list_of<unsigned int>(1)(5)(6)(9) );
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216 | ASSERT( adjacency.size() == 11,
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217 | "SphericalPointDistribution::getConnections<11>() - adjacency has wrong size.");
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218 | return adjacency;
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219 | }
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220 |
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221 | template <>
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222 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<12>()
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223 | {
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224 | adjacency_t adjacency;
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225 | adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4)(5)(6) );
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226 | adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(7)(8)(9)(10)(11) );
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227 | adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(3)(6)(9)(10) );
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228 | adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(2)(4)(10)(11) );
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229 | adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(3)(5)(7)(11) );
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230 | adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(4)(6)(7)(8) );
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231 | adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(0)(2)(5)(8)(9) );
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232 | adjacency += make_pair<unsigned int, IndexSet_t >( 7, list_of<unsigned int>(1)(4)(5)(8)(11) );
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233 | adjacency += make_pair<unsigned int, IndexSet_t >( 8, list_of<unsigned int>(1)(5)(6)(7)(9) );
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234 | adjacency += make_pair<unsigned int, IndexSet_t >( 9, list_of<unsigned int>(1)(2)(6)(8)(10) );
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235 | adjacency += make_pair<unsigned int, IndexSet_t >( 10, list_of<unsigned int>(1)(2)(3)(9)(11) );
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236 | adjacency += make_pair<unsigned int, IndexSet_t >( 11, list_of<unsigned int>(1)(3)(4)(7)(10) );
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237 | ASSERT( adjacency.size() == 12,
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238 | "SphericalPointDistribution::getConnections<12>() - adjacency has wrong size.");
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239 | return adjacency;
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240 | }
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241 |
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242 | template <>
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243 | SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<14>()
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244 | {
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245 | adjacency_t adjacency;
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246 | adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4)(5)(6)(7) );
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247 | adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(8)(9)(10)(11)(12)(13) );
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248 | adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(3)(7)(8)(13) );
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249 | adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(2)(4)(8)(9) );
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250 | adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(3)(5)(9)(10) );
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251 | adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(4)(6)(10)(11) );
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252 | adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(0)(5)(7)(11)(12) );
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253 | adjacency += make_pair<unsigned int, IndexSet_t >( 7, list_of<unsigned int>(0)(2)(6)(12)(13) );
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254 | adjacency += make_pair<unsigned int, IndexSet_t >( 8, list_of<unsigned int>(1)(2)(3)(9)(13) );
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255 | adjacency += make_pair<unsigned int, IndexSet_t >( 9, list_of<unsigned int>(1)(3)(4)(8)(10) );
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256 | adjacency += make_pair<unsigned int, IndexSet_t >( 10, list_of<unsigned int>(1)(4)(5)(9)(11) );
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257 | adjacency += make_pair<unsigned int, IndexSet_t >( 11, list_of<unsigned int>(1)(5)(6)(10)(12) );
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258 | adjacency += make_pair<unsigned int, IndexSet_t >( 12, list_of<unsigned int>(1)(6)(7)(11)(13) );
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259 | adjacency += make_pair<unsigned int, IndexSet_t >( 13, list_of<unsigned int>(1)(2)(7)(8)(12) );
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260 | ASSERT( adjacency.size() == 14,
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261 | "SphericalPointDistribution::getConnections<14>() - adjacency has wrong size.");
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262 | return adjacency;
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263 | }
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