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) 2012 University of Bonn. All rights reserved.
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5 | * Copyright (C) 2013 Frederik Heber. All rights reserved.
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6 | * Please see the COPYING file or "Copyright notice" in builder.cpp for details.
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7 | *
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8 | *
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9 | * This file is part of MoleCuilder.
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10 | *
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11 | * MoleCuilder is free software: you can redistribute it and/or modify
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12 | * it under the terms of the GNU General Public License as published by
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13 | * the Free Software Foundation, either version 2 of the License, or
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14 | * (at your option) any later version.
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15 | *
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16 | * MoleCuilder 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 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 General Public License
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22 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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23 | */
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24 |
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25 | /*
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26 | * FragmentMock.cpp
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27 | *
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28 | * Created on: Dec 20, 2012
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29 | * Author: heber
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30 | */
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31 |
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32 |
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33 | // include config.h
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34 | #ifdef HAVE_CONFIG_H
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35 | #include <config.h>
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36 | #endif
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37 |
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38 | // include headers that implement a archive in simple text format
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39 | // otherwise BOOST_CLASS_EXPORT_IMPLEMENT has no effect
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40 | #include <boost/archive/text_oarchive.hpp>
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41 | #include <boost/archive/text_iarchive.hpp>
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42 |
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43 | #include "CodePatterns/MemDebug.hpp"
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44 |
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45 | #include "Fragmentation/Summation/SetValues/Fragment.hpp"
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46 |
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47 | #include <iostream>
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48 | #include <vector>
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49 |
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50 | /** Default constructor of class Fragment.
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51 | *
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52 | */
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53 | Fragment::Fragment() {}
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54 |
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55 | /** Constructor of class Fragment.
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56 | *
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57 | * @param _positions given positions
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58 | * @param _charges given charges
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59 | */
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60 | Fragment::Fragment(const positions_t &_positions, const charges_t &_charges)
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61 | {}
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62 |
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63 | /** Adding another fragment onto this one.
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64 | *
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65 | * \note The operation is area-conserving, i.e. the new area is the sum of
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66 | * both areas.
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67 | *
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68 | * @param other other fragment
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69 | * @return ref to this instance
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70 | */
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71 | Fragment& Fragment::operator+=(const Fragment &other)
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72 | { return *this; }
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73 |
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74 | /** Assignment operator.
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75 | *
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76 | * @param other other fragment to make ourselves equal to
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77 | * @return ref to this instance
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78 | */
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79 | Fragment& Fragment::operator=(const Fragment &other)
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80 | { return *this; }
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81 |
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82 | /** Subtracting another fragment from this one.
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83 | *
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84 | * @param other other fragment
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85 | * @return ref to this instance
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86 | */
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87 | Fragment& Fragment::operator-=(const Fragment &other)
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88 | { return *this; }
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89 |
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90 | /** Getter for all stored positions.
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91 | *
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92 | * @return vector of positions
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93 | */
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94 | Fragment::positions_t Fragment::getPositions() const
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95 | { return positions_t(); }
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96 |
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97 | /** Getter for all stored charges.
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98 | *
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99 | * @return vector of charges
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100 | */
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101 | Fragment::charges_t Fragment::getCharges() const
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102 | { return charges_t(); }
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103 |
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104 | /** Equality operator.
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105 | *
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106 | * @param other other instance to check against
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107 | * @return true - both are equal, false - some nucleus_t differ
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108 | */
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109 | bool Fragment::operator==(const Fragment& other) const
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110 | { return true; }
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111 |
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112 | /** Creates type nucleus_t from given \a position and \a charge.
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113 | *
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114 | * @param position position of nucleus to create
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115 | * @param charge charge of nucleus to create
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116 | * @return nucleus with given \a position and \a charge
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117 | */
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118 | // static nucleus_t Fragment::createNucleus(const position_t &position, const double charge);
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119 |
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120 | /** Helper function to check whether two positions are equal.
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121 | *
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122 | * @param a first position
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123 | * @param b second position
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124 | * @return a equals b within numerical precision
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125 | */
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126 | // static bool Fragment::isPositionEqual(const position_t &a, const position_t &b);
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127 |
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128 | //
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129 | //// we need to explicitly instantiate the serialization functions
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130 | //BOOST_CLASS_EXPORT_IMPLEMENT(Fragment)
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131 |
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132 | /** Equality operator for two nuclei.
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133 | *
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134 | * @param a first nuclei
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135 | * @param b second nuclei
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136 | * @return true - both have same position and charge, false - either charge or position is different
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137 | */
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138 | bool operator==(const Fragment::nucleus_t &a, const Fragment::nucleus_t &b)
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139 | { return true; }
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140 |
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141 | std::ostream & operator<<(std::ostream &ost, const Fragment::nucleus_t &n)
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142 | { return ost; }
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143 |
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144 | std::ostream & operator<<(std::ostream &ost, const Fragment &f)
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145 | { return ost; }
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