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) 2010-2011 University of Bonn. All rights reserved.
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5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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6 | */
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7 |
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8 | /*
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9 | * MoleculeDescriptor.cpp
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10 | *
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11 | * Created on: Feb 5, 2010
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12 | * Author: crueger
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13 | */
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14 |
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15 | // include config.h
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16 | #ifdef HAVE_CONFIG_H
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17 | #include <config.h>
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18 | #endif
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19 |
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20 | #include "CodePatterns/MemDebug.hpp"
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21 |
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22 | #include "Descriptors/MoleculeDescriptor.hpp"
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23 | #include "Descriptors/MoleculeDescriptor_impl.hpp"
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24 |
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25 | #include "World.hpp"
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26 | #include "CodePatterns/Observer/ObservedContainer_impl.hpp"
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27 |
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28 | #include "molecule.hpp"
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29 |
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30 | #include <boost/bind.hpp>
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31 | #include <iostream>
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32 |
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33 | using namespace std;
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34 |
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35 | typedef World::MoleculeSet::internal_iterator molecules_iter_t;
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36 |
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37 | /************************ Forwarding object **************************************/
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38 |
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39 |
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40 | MoleculeDescriptor::MoleculeDescriptor(impl_ptr _impl) :
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41 | impl(_impl)
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42 | {}
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43 |
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44 | MoleculeDescriptor::MoleculeDescriptor(const MoleculeDescriptor& src) :
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45 | impl(src.get_impl())
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46 | {}
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47 |
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48 | MoleculeDescriptor::~MoleculeDescriptor()
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49 | {}
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50 |
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51 | MoleculeDescriptor& MoleculeDescriptor::operator=(MoleculeDescriptor &src){
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52 | if(&src!=this) {
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53 | impl=src.get_impl();
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54 | }
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55 | return *this;
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56 | }
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57 |
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58 | molecule* MoleculeDescriptor::find(){
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59 | return impl->find();
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60 | }
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61 |
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62 | std::vector<molecule*> MoleculeDescriptor::findAll(){
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63 | return impl->findAll();
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64 | }
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65 |
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66 | MoleculeDescriptor::impl_ptr MoleculeDescriptor::get_impl() const{
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67 | return impl;
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68 | }
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69 |
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70 |
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71 |
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72 |
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73 | /**************************** implementation ********************/
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74 |
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75 | MoleculeDescriptor_impl::MoleculeDescriptor_impl()
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76 | {
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77 | }
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78 |
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79 | MoleculeDescriptor_impl::~MoleculeDescriptor_impl()
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80 | {
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81 | }
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82 |
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83 | World::MoleculeSet& MoleculeDescriptor_impl::getMolecules(){
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84 | return World::getInstance().molecules;
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85 | }
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86 |
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87 | molecule* MoleculeDescriptor_impl::find() {
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88 | World::MoleculeSet &molecules = getMolecules();
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89 | molecules_iter_t res = find_if(molecules.begin_internal(),molecules.end_internal(),boost::bind(&MoleculeDescriptor_impl::predicate,this,_1));
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90 | return (res!=molecules.end_internal())?((*res).second):0;
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91 | }
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92 |
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93 | vector<molecule*> MoleculeDescriptor_impl::findAll() {
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94 | vector<molecule*> res;
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95 | World::MoleculeSet &molecules = getMolecules();
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96 | for_each(molecules.begin_internal(),
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97 | molecules.end_internal(),
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98 | boost::bind(&MoleculeDescriptor_impl::checkAndAdd,
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99 | this,&res,_1));
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100 | return res;
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101 | }
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102 |
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103 | void MoleculeDescriptor_impl::checkAndAdd(std::vector<molecule*> *v,std::pair<moleculeId_t,molecule*> p){
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104 | if(predicate(p)){
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105 | v->push_back(p.second);
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106 | }
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107 | }
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108 |
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109 | /************************** Universe and Emptyset *****************/
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110 |
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111 | MoleculeAllDescriptor_impl::MoleculeAllDescriptor_impl()
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112 | {}
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113 |
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114 | MoleculeAllDescriptor_impl::~MoleculeAllDescriptor_impl()
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115 | {}
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116 |
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117 | bool MoleculeAllDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*>){
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118 | return true;
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119 | }
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120 |
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121 | MoleculeDescriptor AllMolecules(){
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122 | return MoleculeDescriptor(MoleculeDescriptor::impl_ptr(new MoleculeAllDescriptor_impl));
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123 | }
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124 |
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125 | MoleculeNoneDescriptor_impl::MoleculeNoneDescriptor_impl()
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126 | {}
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127 |
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128 | MoleculeNoneDescriptor_impl::~MoleculeNoneDescriptor_impl()
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129 | {}
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130 |
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131 | bool MoleculeNoneDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*>){
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132 | return false;
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133 | }
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134 |
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135 | MoleculeDescriptor NoMolecules(){
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136 | return MoleculeDescriptor(MoleculeDescriptor::impl_ptr(new MoleculeNoneDescriptor_impl));
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137 | }
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138 |
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139 | /************************** Operator stuff ************************/
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140 |
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141 | // AND
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142 | MoleculeAndDescriptor_impl::MoleculeAndDescriptor_impl(MoleculeDescriptor::impl_ptr _lhs, MoleculeDescriptor::impl_ptr _rhs) :
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143 | lhs(_lhs), rhs(_rhs)
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144 | {}
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145 |
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146 | MoleculeAndDescriptor_impl::~MoleculeAndDescriptor_impl()
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147 | {}
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148 |
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149 | bool MoleculeAndDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*> molecule){
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150 | return lhs->predicate(molecule) && rhs->predicate(molecule);
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151 | }
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152 | MoleculeDescriptor operator&&(const MoleculeDescriptor &lhs, const MoleculeDescriptor &rhs){
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153 | MoleculeDescriptor::impl_ptr newImpl = MoleculeDescriptor::impl_ptr(new MoleculeAndDescriptor_impl(lhs.get_impl(),rhs.get_impl()));
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154 | return MoleculeDescriptor(newImpl);
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155 | }
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156 |
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157 | // OR
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158 | MoleculeOrDescriptor_impl::MoleculeOrDescriptor_impl(MoleculeDescriptor::impl_ptr _lhs ,MoleculeDescriptor::impl_ptr _rhs) :
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159 | lhs(_lhs), rhs(_rhs)
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160 | {}
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161 |
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162 | MoleculeOrDescriptor_impl::~MoleculeOrDescriptor_impl(){
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163 | }
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164 |
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165 | bool MoleculeOrDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*> molecule){
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166 | return lhs->predicate(molecule) || rhs->predicate(molecule);
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167 | }
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168 |
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169 | MoleculeDescriptor operator||(const MoleculeDescriptor &lhs, const MoleculeDescriptor &rhs){
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170 | MoleculeDescriptor::impl_ptr newImpl = MoleculeDescriptor::impl_ptr(new MoleculeOrDescriptor_impl(lhs.get_impl(),rhs.get_impl()));
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171 | return MoleculeDescriptor(newImpl);
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172 | }
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173 |
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174 | // NOT
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175 |
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176 | MoleculeNotDescriptor_impl::MoleculeNotDescriptor_impl(MoleculeDescriptor::impl_ptr _arg) :
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177 | arg(_arg)
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178 | {}
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179 |
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180 |
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181 | MoleculeNotDescriptor_impl::~MoleculeNotDescriptor_impl()
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182 | {
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183 | }
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184 |
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185 | bool MoleculeNotDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*> molecule){
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186 | return !(arg->predicate(molecule));
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187 | }
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188 |
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189 | MoleculeDescriptor operator!(const MoleculeDescriptor &arg){
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190 | MoleculeDescriptor::impl_ptr newImpl = MoleculeDescriptor::impl_ptr(new MoleculeNotDescriptor_impl(arg.get_impl()));
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191 | return MoleculeDescriptor(newImpl);
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192 | }
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