| [bcf653] | 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 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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| [1c51c8] | 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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| [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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| [112b09] | 20 | #include "Helpers/MemDebug.hpp" | 
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|  | 21 |  | 
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| [1c51c8] | 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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| [51be2a] | 26 | #include "Patterns/ObservedContainer_impl.hpp" | 
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| [1c51c8] | 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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| [51be2a] | 35 | typedef World::MoleculeSet::internal_iterator molecules_iter_t; | 
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| [1c51c8] | 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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| [23b547] | 84 | return World::getInstance().molecules; | 
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| [1c51c8] | 85 | } | 
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|  | 86 |  | 
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|  | 87 | molecule* MoleculeDescriptor_impl::find() { | 
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| [a1e0b6] | 88 | World::MoleculeSet &molecules = getMolecules(); | 
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| [51be2a] | 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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| [1c51c8] | 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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| [a1e0b6] | 95 | World::MoleculeSet &molecules = getMolecules(); | 
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| [8cce2b] | 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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| [1c51c8] | 100 | return res; | 
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|  | 101 | } | 
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|  | 102 |  | 
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| [8cce2b] | 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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| [1c51c8] | 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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