| [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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| [bcf653] | 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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| [fc1b24] | 8 | /* | 
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|  | 9 | * AtomDescriptor.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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| [bf3817] | 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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| [ad011c] | 20 | #include "CodePatterns/MemDebug.hpp" | 
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| [112b09] | 21 |  | 
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| [7a1ce5] | 22 | #include "Descriptors/AtomDescriptor.hpp" | 
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|  | 23 | #include "Descriptors/AtomDescriptor_impl.hpp" | 
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| [fc1b24] | 24 |  | 
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|  | 25 | #include "World.hpp" | 
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| [6f0841] | 26 | #include "Atom/atom.hpp" | 
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| [02ce36] | 27 | #include "CodePatterns/Observer/ObservedContainer_impl.hpp" | 
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| [7a1ce5] | 28 |  | 
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| [fc1b24] | 29 | #include <boost/bind.hpp> | 
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| [6d574a] | 30 |  | 
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| [7a1ce5] | 31 | #include <iostream> | 
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| [fc1b24] | 32 |  | 
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|  | 33 | using namespace std; | 
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|  | 34 |  | 
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| [4d7462] | 35 | typedef World::AtomSet::internal_iterator atoms_iter_t; | 
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| [fc1b24] | 36 |  | 
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| [7a1ce5] | 37 | /************************ Forwarding object **************************************/ | 
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|  | 38 |  | 
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|  | 39 |  | 
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|  | 40 | AtomDescriptor::AtomDescriptor(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 | AtomDescriptor::AtomDescriptor(const AtomDescriptor& 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 | AtomDescriptor::~AtomDescriptor() | 
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|  | 49 | {} | 
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|  | 50 |  | 
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|  | 51 | AtomDescriptor& AtomDescriptor::operator=(AtomDescriptor &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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| [fc1b24] | 56 | } | 
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|  | 57 |  | 
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| [7a1ce5] | 58 | atom* AtomDescriptor::find(){ | 
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|  | 59 | return impl->find(); | 
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| [d1c5e2] | 60 | } | 
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|  | 61 |  | 
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| [7a1ce5] | 62 | std::vector<atom*> AtomDescriptor::findAll(){ | 
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|  | 63 | return impl->findAll(); | 
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|  | 64 | } | 
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|  | 65 |  | 
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|  | 66 | AtomDescriptor::impl_ptr AtomDescriptor::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 | AtomDescriptor_impl::AtomDescriptor_impl() | 
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| [fc1b24] | 76 | { | 
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|  | 77 | } | 
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|  | 78 |  | 
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| [7a1ce5] | 79 | AtomDescriptor_impl::~AtomDescriptor_impl() | 
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|  | 80 | { | 
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|  | 81 | } | 
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| [fc1b24] | 82 |  | 
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| [7042f45] | 83 | World::AtomSet& AtomDescriptor_impl::getAtoms(){ | 
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| [23b547] | 84 | return World::getInstance().atoms; | 
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| [fc1b24] | 85 | } | 
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|  | 86 |  | 
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| [7a1ce5] | 87 | atom* AtomDescriptor_impl::find() { | 
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| [4d7462] | 88 | World::AtomSet &atoms = getAtoms(); | 
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|  | 89 | atoms_iter_t res = find_if(atoms.begin_internal(),atoms.end_internal(),boost::bind(&AtomDescriptor_impl::predicate,this,_1)); | 
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|  | 90 | return (res!=atoms.end_internal())?((*res).second):0; | 
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| [fc1b24] | 91 | } | 
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|  | 92 |  | 
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| [7a1ce5] | 93 | vector<atom*> AtomDescriptor_impl::findAll() { | 
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| [fc1b24] | 94 | vector<atom*> res; | 
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| [7042f45] | 95 | World::AtomSet atoms = getAtoms(); | 
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| [8cce2b] | 96 | for_each(atoms.begin_internal(), | 
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|  | 97 | atoms.end_internal(), | 
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|  | 98 | boost::bind(&AtomDescriptor_impl::checkAndAdd, | 
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|  | 99 | this,&res,_1)); | 
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| [7a1ce5] | 100 | return res; | 
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| [fc1b24] | 101 | } | 
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| [d1c5e2] | 102 |  | 
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| [8cce2b] | 103 | void AtomDescriptor_impl::checkAndAdd(std::vector<atom*> *v,std::pair<atomId_t,atom*> 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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| [7a1ce5] | 109 | /************************** Universe and Emptyset *****************/ | 
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| [d1c5e2] | 110 |  | 
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| [7a1ce5] | 111 | AtomAllDescriptor_impl::AtomAllDescriptor_impl() | 
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|  | 112 | {} | 
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| [d1c5e2] | 113 |  | 
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| [7a1ce5] | 114 | AtomAllDescriptor_impl::~AtomAllDescriptor_impl() | 
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|  | 115 | {} | 
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| [d1c5e2] | 116 |  | 
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| [24a5e0] | 117 | bool AtomAllDescriptor_impl::predicate(std::pair<atomId_t,atom*>){ | 
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| [7a1ce5] | 118 | return true; | 
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| [d1c5e2] | 119 | } | 
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|  | 120 |  | 
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| [7a1ce5] | 121 | AtomDescriptor AllAtoms(){ | 
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|  | 122 | return AtomDescriptor(AtomDescriptor::impl_ptr(new AtomAllDescriptor_impl)); | 
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| [d1c5e2] | 123 | } | 
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|  | 124 |  | 
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| [7a1ce5] | 125 | AtomNoneDescriptor_impl::AtomNoneDescriptor_impl() | 
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|  | 126 | {} | 
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|  | 127 |  | 
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|  | 128 | AtomNoneDescriptor_impl::~AtomNoneDescriptor_impl() | 
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|  | 129 | {} | 
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|  | 130 |  | 
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| [24a5e0] | 131 | bool AtomNoneDescriptor_impl::predicate(std::pair<atomId_t,atom*>){ | 
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| [7a1ce5] | 132 | return false; | 
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| [d1c5e2] | 133 | } | 
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|  | 134 |  | 
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| [7a1ce5] | 135 | AtomDescriptor NoAtoms(){ | 
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|  | 136 | return AtomDescriptor(AtomDescriptor::impl_ptr(new AtomNoneDescriptor_impl)); | 
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| [d1c5e2] | 137 | } | 
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|  | 138 |  | 
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| [7a1ce5] | 139 | /************************** Operator stuff ************************/ | 
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| [d1c5e2] | 140 |  | 
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| [7a1ce5] | 141 | // AND | 
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|  | 142 | AtomAndDescriptor_impl::AtomAndDescriptor_impl(AtomDescriptor::impl_ptr _lhs, AtomDescriptor::impl_ptr _rhs) : | 
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|  | 143 | lhs(_lhs), rhs(_rhs) | 
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|  | 144 | {} | 
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| [d1c5e2] | 145 |  | 
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| [7a1ce5] | 146 | AtomAndDescriptor_impl::~AtomAndDescriptor_impl() | 
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|  | 147 | {} | 
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| [d1c5e2] | 148 |  | 
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| [24a5e0] | 149 | bool AtomAndDescriptor_impl::predicate(std::pair<atomId_t,atom*> atom){ | 
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| [7a1ce5] | 150 | return lhs->predicate(atom) && rhs->predicate(atom); | 
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|  | 151 | } | 
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|  | 152 | AtomDescriptor operator&&(const AtomDescriptor &lhs, const AtomDescriptor &rhs){ | 
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|  | 153 | AtomDescriptor::impl_ptr newImpl = AtomDescriptor::impl_ptr(new AtomAndDescriptor_impl(lhs.get_impl(),rhs.get_impl())); | 
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|  | 154 | return AtomDescriptor(newImpl); | 
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| [d1c5e2] | 155 | } | 
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|  | 156 |  | 
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| [7a1ce5] | 157 | // OR | 
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|  | 158 | AtomOrDescriptor_impl::AtomOrDescriptor_impl(AtomDescriptor::impl_ptr _lhs ,AtomDescriptor::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 | AtomOrDescriptor_impl::~AtomOrDescriptor_impl(){ | 
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| [d1c5e2] | 163 | } | 
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|  | 164 |  | 
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| [24a5e0] | 165 | bool AtomOrDescriptor_impl::predicate(std::pair<atomId_t,atom*> atom){ | 
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| [7a1ce5] | 166 | return lhs->predicate(atom) || rhs->predicate(atom); | 
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| [d1c5e2] | 167 | } | 
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|  | 168 |  | 
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| [7a1ce5] | 169 | AtomDescriptor  operator||(const AtomDescriptor &lhs, const AtomDescriptor &rhs){ | 
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|  | 170 | AtomDescriptor::impl_ptr newImpl = AtomDescriptor::impl_ptr(new AtomOrDescriptor_impl(lhs.get_impl(),rhs.get_impl())); | 
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|  | 171 | return AtomDescriptor(newImpl); | 
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| [d1c5e2] | 172 | } | 
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|  | 173 |  | 
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|  | 174 | // NOT | 
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|  | 175 |  | 
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| [7a1ce5] | 176 | AtomNotDescriptor_impl::AtomNotDescriptor_impl(AtomDescriptor::impl_ptr _arg) : | 
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|  | 177 | arg(_arg) | 
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|  | 178 | {} | 
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| [d1c5e2] | 179 |  | 
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|  | 180 |  | 
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| [7a1ce5] | 181 | AtomNotDescriptor_impl::~AtomNotDescriptor_impl() | 
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| [d1c5e2] | 182 | { | 
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|  | 183 | } | 
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|  | 184 |  | 
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| [24a5e0] | 185 | bool AtomNotDescriptor_impl::predicate(std::pair<atomId_t,atom*> atom){ | 
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| [d1c5e2] | 186 | return !(arg->predicate(atom)); | 
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|  | 187 | } | 
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|  | 188 |  | 
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| [7a1ce5] | 189 | AtomDescriptor operator!(const AtomDescriptor &arg){ | 
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|  | 190 | AtomDescriptor::impl_ptr newImpl = AtomDescriptor::impl_ptr(new AtomNotDescriptor_impl(arg.get_impl())); | 
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|  | 191 | return AtomDescriptor(newImpl); | 
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| [d1c5e2] | 192 | } | 
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