[6393ff] | 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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[9eb71b3] | 35 | //#include "CodePatterns/MemDebug.hpp"
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[6393ff] | 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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