| [bcf653] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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| [0aa122] | 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| [94d5ac6] | 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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| [bcf653] | 21 | */ | 
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|  | 22 |  | 
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| [fc1b24] | 23 | /* | 
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|  | 24 | * AtomDescriptor.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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| [bf3817] | 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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| [ad011c] | 35 | #include "CodePatterns/MemDebug.hpp" | 
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| [112b09] | 36 |  | 
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| [7a1ce5] | 37 | #include "Descriptors/AtomDescriptor.hpp" | 
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|  | 38 | #include "Descriptors/AtomDescriptor_impl.hpp" | 
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| [fc1b24] | 39 |  | 
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|  | 40 | #include "World.hpp" | 
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| [6f0841] | 41 | #include "Atom/atom.hpp" | 
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| [02ce36] | 42 | #include "CodePatterns/Observer/ObservedContainer_impl.hpp" | 
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| [7a1ce5] | 43 |  | 
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| [fc1b24] | 44 | #include <boost/bind.hpp> | 
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| [6d574a] | 45 |  | 
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| [7a1ce5] | 46 | #include <iostream> | 
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| [fc1b24] | 47 |  | 
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|  | 48 | using namespace std; | 
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|  | 49 |  | 
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| [4d7462] | 50 | typedef World::AtomSet::internal_iterator atoms_iter_t; | 
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| [fc1b24] | 51 |  | 
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| [7a1ce5] | 52 | /************************ Forwarding object **************************************/ | 
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|  | 53 |  | 
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|  | 54 |  | 
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|  | 55 | AtomDescriptor::AtomDescriptor(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 | AtomDescriptor::AtomDescriptor(const AtomDescriptor& 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 | AtomDescriptor::~AtomDescriptor() | 
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|  | 64 | {} | 
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|  | 65 |  | 
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|  | 66 | AtomDescriptor& AtomDescriptor::operator=(AtomDescriptor &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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| [fc1b24] | 71 | } | 
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|  | 72 |  | 
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| [7a1ce5] | 73 | atom* AtomDescriptor::find(){ | 
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|  | 74 | return impl->find(); | 
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| [d1c5e2] | 75 | } | 
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|  | 76 |  | 
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| [7a1ce5] | 77 | std::vector<atom*> AtomDescriptor::findAll(){ | 
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|  | 78 | return impl->findAll(); | 
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|  | 79 | } | 
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|  | 80 |  | 
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|  | 81 | AtomDescriptor::impl_ptr AtomDescriptor::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 | AtomDescriptor_impl::AtomDescriptor_impl() | 
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| [fc1b24] | 91 | { | 
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|  | 92 | } | 
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|  | 93 |  | 
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| [7a1ce5] | 94 | AtomDescriptor_impl::~AtomDescriptor_impl() | 
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|  | 95 | { | 
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|  | 96 | } | 
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| [fc1b24] | 97 |  | 
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| [7042f45] | 98 | World::AtomSet& AtomDescriptor_impl::getAtoms(){ | 
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| [23b547] | 99 | return World::getInstance().atoms; | 
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| [fc1b24] | 100 | } | 
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|  | 101 |  | 
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| [7a1ce5] | 102 | atom* AtomDescriptor_impl::find() { | 
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| [4d7462] | 103 | World::AtomSet &atoms = getAtoms(); | 
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|  | 104 | atoms_iter_t res = find_if(atoms.begin_internal(),atoms.end_internal(),boost::bind(&AtomDescriptor_impl::predicate,this,_1)); | 
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|  | 105 | return (res!=atoms.end_internal())?((*res).second):0; | 
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| [fc1b24] | 106 | } | 
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|  | 107 |  | 
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| [7a1ce5] | 108 | vector<atom*> AtomDescriptor_impl::findAll() { | 
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| [fc1b24] | 109 | vector<atom*> res; | 
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| [7042f45] | 110 | World::AtomSet atoms = getAtoms(); | 
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| [8cce2b] | 111 | for_each(atoms.begin_internal(), | 
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|  | 112 | atoms.end_internal(), | 
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|  | 113 | boost::bind(&AtomDescriptor_impl::checkAndAdd, | 
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|  | 114 | this,&res,_1)); | 
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| [7a1ce5] | 115 | return res; | 
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| [fc1b24] | 116 | } | 
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| [d1c5e2] | 117 |  | 
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| [8cce2b] | 118 | void AtomDescriptor_impl::checkAndAdd(std::vector<atom*> *v,std::pair<atomId_t,atom*> 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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| [7a1ce5] | 124 | /************************** Universe and Emptyset *****************/ | 
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| [d1c5e2] | 125 |  | 
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| [7a1ce5] | 126 | AtomAllDescriptor_impl::AtomAllDescriptor_impl() | 
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|  | 127 | {} | 
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| [d1c5e2] | 128 |  | 
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| [7a1ce5] | 129 | AtomAllDescriptor_impl::~AtomAllDescriptor_impl() | 
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|  | 130 | {} | 
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| [d1c5e2] | 131 |  | 
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| [24a5e0] | 132 | bool AtomAllDescriptor_impl::predicate(std::pair<atomId_t,atom*>){ | 
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| [7a1ce5] | 133 | return true; | 
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| [d1c5e2] | 134 | } | 
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|  | 135 |  | 
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| [7a1ce5] | 136 | AtomDescriptor AllAtoms(){ | 
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|  | 137 | return AtomDescriptor(AtomDescriptor::impl_ptr(new AtomAllDescriptor_impl)); | 
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| [d1c5e2] | 138 | } | 
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|  | 139 |  | 
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| [7a1ce5] | 140 | AtomNoneDescriptor_impl::AtomNoneDescriptor_impl() | 
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|  | 141 | {} | 
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|  | 142 |  | 
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|  | 143 | AtomNoneDescriptor_impl::~AtomNoneDescriptor_impl() | 
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|  | 144 | {} | 
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|  | 145 |  | 
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| [24a5e0] | 146 | bool AtomNoneDescriptor_impl::predicate(std::pair<atomId_t,atom*>){ | 
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| [7a1ce5] | 147 | return false; | 
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| [d1c5e2] | 148 | } | 
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|  | 149 |  | 
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| [7a1ce5] | 150 | AtomDescriptor NoAtoms(){ | 
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|  | 151 | return AtomDescriptor(AtomDescriptor::impl_ptr(new AtomNoneDescriptor_impl)); | 
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| [d1c5e2] | 152 | } | 
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|  | 153 |  | 
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| [7a1ce5] | 154 | /************************** Operator stuff ************************/ | 
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| [d1c5e2] | 155 |  | 
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| [7a1ce5] | 156 | // AND | 
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|  | 157 | AtomAndDescriptor_impl::AtomAndDescriptor_impl(AtomDescriptor::impl_ptr _lhs, AtomDescriptor::impl_ptr _rhs) : | 
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|  | 158 | lhs(_lhs), rhs(_rhs) | 
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|  | 159 | {} | 
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| [d1c5e2] | 160 |  | 
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| [7a1ce5] | 161 | AtomAndDescriptor_impl::~AtomAndDescriptor_impl() | 
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|  | 162 | {} | 
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| [d1c5e2] | 163 |  | 
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| [24a5e0] | 164 | bool AtomAndDescriptor_impl::predicate(std::pair<atomId_t,atom*> atom){ | 
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| [7a1ce5] | 165 | return lhs->predicate(atom) && rhs->predicate(atom); | 
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|  | 166 | } | 
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|  | 167 | AtomDescriptor operator&&(const AtomDescriptor &lhs, const AtomDescriptor &rhs){ | 
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|  | 168 | AtomDescriptor::impl_ptr newImpl = AtomDescriptor::impl_ptr(new AtomAndDescriptor_impl(lhs.get_impl(),rhs.get_impl())); | 
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|  | 169 | return AtomDescriptor(newImpl); | 
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| [d1c5e2] | 170 | } | 
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|  | 171 |  | 
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| [7a1ce5] | 172 | // OR | 
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|  | 173 | AtomOrDescriptor_impl::AtomOrDescriptor_impl(AtomDescriptor::impl_ptr _lhs ,AtomDescriptor::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 | AtomOrDescriptor_impl::~AtomOrDescriptor_impl(){ | 
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| [d1c5e2] | 178 | } | 
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|  | 179 |  | 
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| [24a5e0] | 180 | bool AtomOrDescriptor_impl::predicate(std::pair<atomId_t,atom*> atom){ | 
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| [7a1ce5] | 181 | return lhs->predicate(atom) || rhs->predicate(atom); | 
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| [d1c5e2] | 182 | } | 
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|  | 183 |  | 
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| [7a1ce5] | 184 | AtomDescriptor  operator||(const AtomDescriptor &lhs, const AtomDescriptor &rhs){ | 
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|  | 185 | AtomDescriptor::impl_ptr newImpl = AtomDescriptor::impl_ptr(new AtomOrDescriptor_impl(lhs.get_impl(),rhs.get_impl())); | 
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|  | 186 | return AtomDescriptor(newImpl); | 
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| [d1c5e2] | 187 | } | 
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|  | 188 |  | 
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|  | 189 | // NOT | 
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|  | 190 |  | 
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| [7a1ce5] | 191 | AtomNotDescriptor_impl::AtomNotDescriptor_impl(AtomDescriptor::impl_ptr _arg) : | 
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|  | 192 | arg(_arg) | 
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|  | 193 | {} | 
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| [d1c5e2] | 194 |  | 
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|  | 195 |  | 
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| [7a1ce5] | 196 | AtomNotDescriptor_impl::~AtomNotDescriptor_impl() | 
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| [d1c5e2] | 197 | { | 
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|  | 198 | } | 
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|  | 199 |  | 
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| [24a5e0] | 200 | bool AtomNotDescriptor_impl::predicate(std::pair<atomId_t,atom*> atom){ | 
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| [d1c5e2] | 201 | return !(arg->predicate(atom)); | 
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|  | 202 | } | 
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|  | 203 |  | 
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| [7a1ce5] | 204 | AtomDescriptor operator!(const AtomDescriptor &arg){ | 
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|  | 205 | AtomDescriptor::impl_ptr newImpl = AtomDescriptor::impl_ptr(new AtomNotDescriptor_impl(arg.get_impl())); | 
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|  | 206 | return AtomDescriptor(newImpl); | 
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| [d1c5e2] | 207 | } | 
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