| 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)  2010-2012 University of Bonn. 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 |  * MoleculeDescriptor.cpp
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| 25 |  *
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| 26 |  *  Created on: Feb 5, 2010
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| 27 |  *      Author: crueger
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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 "Descriptors/MoleculeDescriptor.hpp"
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| 38 | #include "Descriptors/MoleculeDescriptor_impl.hpp"
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| 39 | 
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| 40 | #include "World.hpp"
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| 41 | #include "CodePatterns/Observer/ObservedContainer_impl.hpp"
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| 42 | 
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| 43 | #include "molecule.hpp"
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| 44 | 
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| 45 | #include <boost/bind.hpp>
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| 46 | #include <iostream>
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| 47 | 
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| 48 | using namespace std;
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| 49 | 
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| 50 | typedef World::MoleculeSet::internal_iterator molecules_iter_t;
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| 51 | 
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| 52 | /************************ Forwarding object **************************************/
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| 53 | 
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| 54 | 
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| 55 | MoleculeDescriptor::MoleculeDescriptor(impl_ptr _impl) :
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| 56 |     impl(_impl)
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| 57 | {}
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| 58 | 
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| 59 | MoleculeDescriptor::MoleculeDescriptor(const MoleculeDescriptor& src) :
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| 60 |     impl(src.get_impl())
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| 61 | {}
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| 62 | 
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| 63 | MoleculeDescriptor::~MoleculeDescriptor()
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| 64 | {}
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| 65 | 
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| 66 | MoleculeDescriptor& MoleculeDescriptor::operator=(MoleculeDescriptor &src){
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| 67 |   if(&src!=this) {
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| 68 |     impl=src.get_impl();
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| 69 |   }
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| 70 |   return *this;
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| 71 | }
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| 72 | 
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| 73 | molecule* MoleculeDescriptor::find(){
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| 74 |   return impl->find();
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| 75 | }
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| 76 | 
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| 77 | std::vector<molecule*> MoleculeDescriptor::findAll(){
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| 78 |   return impl->findAll();
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| 79 | }
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| 80 | 
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| 81 | MoleculeDescriptor::impl_ptr MoleculeDescriptor::get_impl() const{
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| 82 |   return impl;
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| 83 | }
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| 84 | 
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| 85 | 
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| 86 | 
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| 87 | 
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| 88 | /**************************** implementation ********************/
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| 89 | 
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| 90 | MoleculeDescriptor_impl::MoleculeDescriptor_impl()
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| 91 | {
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| 92 | }
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| 93 | 
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| 94 | MoleculeDescriptor_impl::~MoleculeDescriptor_impl()
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| 95 | {
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| 96 | }
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| 97 | 
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| 98 | World::MoleculeSet& MoleculeDescriptor_impl::getMolecules(){
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| 99 |   return World::getInstance().molecules;
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| 100 | }
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| 101 | 
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| 102 | molecule* MoleculeDescriptor_impl::find() {
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| 103 |   World::MoleculeSet &molecules = getMolecules();
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| 104 |   molecules_iter_t res = find_if(molecules.begin_internal(),molecules.end_internal(),boost::bind(&MoleculeDescriptor_impl::predicate,this,_1));
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| 105 |   return (res!=molecules.end_internal())?((*res).second):0;
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| 106 | }
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| 107 | 
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| 108 | vector<molecule*> MoleculeDescriptor_impl::findAll() {
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| 109 |   vector<molecule*> res;
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| 110 |   World::MoleculeSet &molecules = getMolecules();
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| 111 |   for_each(molecules.begin_internal(),
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| 112 |            molecules.end_internal(),
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| 113 |            boost::bind(&MoleculeDescriptor_impl::checkAndAdd,
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| 114 |                        this,&res,_1));
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| 115 |   return res;
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| 116 | }
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| 117 | 
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| 118 | void MoleculeDescriptor_impl::checkAndAdd(std::vector<molecule*> *v,std::pair<moleculeId_t,molecule*> p){
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| 119 |   if(predicate(p)){
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| 120 |     v->push_back(p.second);
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| 121 |   }
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| 122 | }
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| 123 | 
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| 124 | /************************** Universe and Emptyset *****************/
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| 125 | 
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| 126 | MoleculeAllDescriptor_impl::MoleculeAllDescriptor_impl()
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| 127 | {}
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| 128 | 
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| 129 | MoleculeAllDescriptor_impl::~MoleculeAllDescriptor_impl()
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| 130 | {}
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| 131 | 
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| 132 | bool MoleculeAllDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*>){
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| 133 |   return true;
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| 134 | }
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| 135 | 
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| 136 | MoleculeDescriptor AllMolecules(){
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| 137 |   return MoleculeDescriptor(MoleculeDescriptor::impl_ptr(new MoleculeAllDescriptor_impl));
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| 138 | }
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| 139 | 
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| 140 | MoleculeNoneDescriptor_impl::MoleculeNoneDescriptor_impl()
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| 141 | {}
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| 142 | 
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| 143 | MoleculeNoneDescriptor_impl::~MoleculeNoneDescriptor_impl()
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| 144 | {}
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| 145 | 
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| 146 | bool MoleculeNoneDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*>){
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| 147 |   return false;
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| 148 | }
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| 149 | 
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| 150 | MoleculeDescriptor NoMolecules(){
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| 151 |   return MoleculeDescriptor(MoleculeDescriptor::impl_ptr(new MoleculeNoneDescriptor_impl));
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| 152 | }
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| 153 | 
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| 154 | /************************** Operator stuff ************************/
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| 155 | 
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| 156 | // AND
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| 157 | MoleculeAndDescriptor_impl::MoleculeAndDescriptor_impl(MoleculeDescriptor::impl_ptr _lhs, MoleculeDescriptor::impl_ptr _rhs) :
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| 158 |     lhs(_lhs), rhs(_rhs)
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| 159 | {}
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| 160 | 
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| 161 | MoleculeAndDescriptor_impl::~MoleculeAndDescriptor_impl()
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| 162 | {}
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| 163 | 
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| 164 | bool MoleculeAndDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*> molecule){
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| 165 |   return lhs->predicate(molecule) && rhs->predicate(molecule);
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| 166 | }
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| 167 | MoleculeDescriptor operator&&(const MoleculeDescriptor &lhs, const MoleculeDescriptor &rhs){
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| 168 |   MoleculeDescriptor::impl_ptr newImpl = MoleculeDescriptor::impl_ptr(new MoleculeAndDescriptor_impl(lhs.get_impl(),rhs.get_impl()));
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| 169 |   return MoleculeDescriptor(newImpl);
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| 170 | }
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| 171 | 
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| 172 | // OR
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| 173 | MoleculeOrDescriptor_impl::MoleculeOrDescriptor_impl(MoleculeDescriptor::impl_ptr _lhs ,MoleculeDescriptor::impl_ptr _rhs) :
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| 174 |     lhs(_lhs), rhs(_rhs)
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| 175 | {}
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| 176 | 
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| 177 | MoleculeOrDescriptor_impl::~MoleculeOrDescriptor_impl(){
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| 178 | }
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| 179 | 
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| 180 | bool MoleculeOrDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*> molecule){
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| 181 |   return lhs->predicate(molecule) || rhs->predicate(molecule);
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| 182 | }
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| 183 | 
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| 184 | MoleculeDescriptor  operator||(const MoleculeDescriptor &lhs, const MoleculeDescriptor &rhs){
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| 185 |   MoleculeDescriptor::impl_ptr newImpl = MoleculeDescriptor::impl_ptr(new MoleculeOrDescriptor_impl(lhs.get_impl(),rhs.get_impl()));
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| 186 |   return MoleculeDescriptor(newImpl);
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| 187 | }
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| 188 | 
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| 189 | // NOT
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| 190 | 
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| 191 | MoleculeNotDescriptor_impl::MoleculeNotDescriptor_impl(MoleculeDescriptor::impl_ptr _arg) :
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| 192 |     arg(_arg)
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| 193 | {}
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| 194 | 
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| 195 | 
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| 196 | MoleculeNotDescriptor_impl::~MoleculeNotDescriptor_impl()
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| 197 | {
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| 198 | }
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| 199 | 
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| 200 | bool MoleculeNotDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*> molecule){
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| 201 |  return !(arg->predicate(molecule));
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| 202 | }
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| 203 | 
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| 204 | MoleculeDescriptor operator!(const MoleculeDescriptor &arg){
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| 205 |   MoleculeDescriptor::impl_ptr newImpl = MoleculeDescriptor::impl_ptr(new MoleculeNotDescriptor_impl(arg.get_impl()));
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| 206 |   return MoleculeDescriptor(newImpl);
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| 207 | }
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