[bcf653] | 1 | /*
|
---|
| 2 | * Project: MoleCuilder
|
---|
| 3 | * Description: creates and alters molecular systems
|
---|
[0aa122] | 4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
|
---|
[94d5ac6] | 5 | *
|
---|
| 6 | *
|
---|
| 7 | * This file is part of MoleCuilder.
|
---|
| 8 | *
|
---|
| 9 | * MoleCuilder is free software: you can redistribute it and/or modify
|
---|
| 10 | * it under the terms of the GNU General Public License as published by
|
---|
| 11 | * the Free Software Foundation, either version 2 of the License, or
|
---|
| 12 | * (at your option) any later version.
|
---|
| 13 | *
|
---|
| 14 | * MoleCuilder is distributed in the hope that it will be useful,
|
---|
| 15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
|
---|
| 16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
---|
| 17 | * GNU General Public License for more details.
|
---|
| 18 | *
|
---|
| 19 | * You should have received a copy of the GNU General Public License
|
---|
| 20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
|
---|
[bcf653] | 21 | */
|
---|
| 22 |
|
---|
[1c51c8] | 23 | /*
|
---|
| 24 | * MoleculeDescriptor.cpp
|
---|
| 25 | *
|
---|
| 26 | * Created on: Feb 5, 2010
|
---|
| 27 | * Author: crueger
|
---|
| 28 | */
|
---|
| 29 |
|
---|
[bf3817] | 30 | // include config.h
|
---|
| 31 | #ifdef HAVE_CONFIG_H
|
---|
| 32 | #include <config.h>
|
---|
| 33 | #endif
|
---|
| 34 |
|
---|
[ad011c] | 35 | #include "CodePatterns/MemDebug.hpp"
|
---|
[112b09] | 36 |
|
---|
[1c51c8] | 37 | #include "Descriptors/MoleculeDescriptor.hpp"
|
---|
| 38 | #include "Descriptors/MoleculeDescriptor_impl.hpp"
|
---|
| 39 |
|
---|
| 40 | #include "World.hpp"
|
---|
[02ce36] | 41 | #include "CodePatterns/Observer/ObservedContainer_impl.hpp"
|
---|
[1c51c8] | 42 |
|
---|
| 43 | #include "molecule.hpp"
|
---|
| 44 |
|
---|
| 45 | #include <boost/bind.hpp>
|
---|
| 46 | #include <iostream>
|
---|
| 47 |
|
---|
| 48 | using namespace std;
|
---|
| 49 |
|
---|
[51be2a] | 50 | typedef World::MoleculeSet::internal_iterator molecules_iter_t;
|
---|
[1c51c8] | 51 |
|
---|
| 52 | /************************ Forwarding object **************************************/
|
---|
| 53 |
|
---|
| 54 |
|
---|
| 55 | MoleculeDescriptor::MoleculeDescriptor(impl_ptr _impl) :
|
---|
| 56 | impl(_impl)
|
---|
| 57 | {}
|
---|
| 58 |
|
---|
| 59 | MoleculeDescriptor::MoleculeDescriptor(const MoleculeDescriptor& src) :
|
---|
| 60 | impl(src.get_impl())
|
---|
| 61 | {}
|
---|
| 62 |
|
---|
| 63 | MoleculeDescriptor::~MoleculeDescriptor()
|
---|
| 64 | {}
|
---|
| 65 |
|
---|
| 66 | MoleculeDescriptor& MoleculeDescriptor::operator=(MoleculeDescriptor &src){
|
---|
| 67 | if(&src!=this) {
|
---|
| 68 | impl=src.get_impl();
|
---|
| 69 | }
|
---|
| 70 | return *this;
|
---|
| 71 | }
|
---|
| 72 |
|
---|
| 73 | molecule* MoleculeDescriptor::find(){
|
---|
| 74 | return impl->find();
|
---|
| 75 | }
|
---|
| 76 |
|
---|
| 77 | std::vector<molecule*> MoleculeDescriptor::findAll(){
|
---|
| 78 | return impl->findAll();
|
---|
| 79 | }
|
---|
| 80 |
|
---|
| 81 | MoleculeDescriptor::impl_ptr MoleculeDescriptor::get_impl() const{
|
---|
| 82 | return impl;
|
---|
| 83 | }
|
---|
| 84 |
|
---|
| 85 |
|
---|
| 86 |
|
---|
| 87 |
|
---|
| 88 | /**************************** implementation ********************/
|
---|
| 89 |
|
---|
| 90 | MoleculeDescriptor_impl::MoleculeDescriptor_impl()
|
---|
| 91 | {
|
---|
| 92 | }
|
---|
| 93 |
|
---|
| 94 | MoleculeDescriptor_impl::~MoleculeDescriptor_impl()
|
---|
| 95 | {
|
---|
| 96 | }
|
---|
| 97 |
|
---|
| 98 | World::MoleculeSet& MoleculeDescriptor_impl::getMolecules(){
|
---|
[23b547] | 99 | return World::getInstance().molecules;
|
---|
[1c51c8] | 100 | }
|
---|
| 101 |
|
---|
| 102 | molecule* MoleculeDescriptor_impl::find() {
|
---|
[a1e0b6] | 103 | World::MoleculeSet &molecules = getMolecules();
|
---|
[51be2a] | 104 | molecules_iter_t res = find_if(molecules.begin_internal(),molecules.end_internal(),boost::bind(&MoleculeDescriptor_impl::predicate,this,_1));
|
---|
| 105 | return (res!=molecules.end_internal())?((*res).second):0;
|
---|
[1c51c8] | 106 | }
|
---|
| 107 |
|
---|
| 108 | vector<molecule*> MoleculeDescriptor_impl::findAll() {
|
---|
| 109 | vector<molecule*> res;
|
---|
[a1e0b6] | 110 | World::MoleculeSet &molecules = getMolecules();
|
---|
[8cce2b] | 111 | for_each(molecules.begin_internal(),
|
---|
| 112 | molecules.end_internal(),
|
---|
| 113 | boost::bind(&MoleculeDescriptor_impl::checkAndAdd,
|
---|
| 114 | this,&res,_1));
|
---|
[1c51c8] | 115 | return res;
|
---|
| 116 | }
|
---|
| 117 |
|
---|
[8cce2b] | 118 | void MoleculeDescriptor_impl::checkAndAdd(std::vector<molecule*> *v,std::pair<moleculeId_t,molecule*> p){
|
---|
| 119 | if(predicate(p)){
|
---|
| 120 | v->push_back(p.second);
|
---|
| 121 | }
|
---|
| 122 | }
|
---|
| 123 |
|
---|
[1c51c8] | 124 | /************************** Universe and Emptyset *****************/
|
---|
| 125 |
|
---|
| 126 | MoleculeAllDescriptor_impl::MoleculeAllDescriptor_impl()
|
---|
| 127 | {}
|
---|
| 128 |
|
---|
| 129 | MoleculeAllDescriptor_impl::~MoleculeAllDescriptor_impl()
|
---|
| 130 | {}
|
---|
| 131 |
|
---|
| 132 | bool MoleculeAllDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*>){
|
---|
| 133 | return true;
|
---|
| 134 | }
|
---|
| 135 |
|
---|
| 136 | MoleculeDescriptor AllMolecules(){
|
---|
| 137 | return MoleculeDescriptor(MoleculeDescriptor::impl_ptr(new MoleculeAllDescriptor_impl));
|
---|
| 138 | }
|
---|
| 139 |
|
---|
| 140 | MoleculeNoneDescriptor_impl::MoleculeNoneDescriptor_impl()
|
---|
| 141 | {}
|
---|
| 142 |
|
---|
| 143 | MoleculeNoneDescriptor_impl::~MoleculeNoneDescriptor_impl()
|
---|
| 144 | {}
|
---|
| 145 |
|
---|
| 146 | bool MoleculeNoneDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*>){
|
---|
| 147 | return false;
|
---|
| 148 | }
|
---|
| 149 |
|
---|
| 150 | MoleculeDescriptor NoMolecules(){
|
---|
| 151 | return MoleculeDescriptor(MoleculeDescriptor::impl_ptr(new MoleculeNoneDescriptor_impl));
|
---|
| 152 | }
|
---|
| 153 |
|
---|
| 154 | /************************** Operator stuff ************************/
|
---|
| 155 |
|
---|
| 156 | // AND
|
---|
| 157 | MoleculeAndDescriptor_impl::MoleculeAndDescriptor_impl(MoleculeDescriptor::impl_ptr _lhs, MoleculeDescriptor::impl_ptr _rhs) :
|
---|
| 158 | lhs(_lhs), rhs(_rhs)
|
---|
| 159 | {}
|
---|
| 160 |
|
---|
| 161 | MoleculeAndDescriptor_impl::~MoleculeAndDescriptor_impl()
|
---|
| 162 | {}
|
---|
| 163 |
|
---|
| 164 | bool MoleculeAndDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*> molecule){
|
---|
| 165 | return lhs->predicate(molecule) && rhs->predicate(molecule);
|
---|
| 166 | }
|
---|
| 167 | MoleculeDescriptor operator&&(const MoleculeDescriptor &lhs, const MoleculeDescriptor &rhs){
|
---|
| 168 | MoleculeDescriptor::impl_ptr newImpl = MoleculeDescriptor::impl_ptr(new MoleculeAndDescriptor_impl(lhs.get_impl(),rhs.get_impl()));
|
---|
| 169 | return MoleculeDescriptor(newImpl);
|
---|
| 170 | }
|
---|
| 171 |
|
---|
| 172 | // OR
|
---|
| 173 | MoleculeOrDescriptor_impl::MoleculeOrDescriptor_impl(MoleculeDescriptor::impl_ptr _lhs ,MoleculeDescriptor::impl_ptr _rhs) :
|
---|
| 174 | lhs(_lhs), rhs(_rhs)
|
---|
| 175 | {}
|
---|
| 176 |
|
---|
| 177 | MoleculeOrDescriptor_impl::~MoleculeOrDescriptor_impl(){
|
---|
| 178 | }
|
---|
| 179 |
|
---|
| 180 | bool MoleculeOrDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*> molecule){
|
---|
| 181 | return lhs->predicate(molecule) || rhs->predicate(molecule);
|
---|
| 182 | }
|
---|
| 183 |
|
---|
| 184 | MoleculeDescriptor operator||(const MoleculeDescriptor &lhs, const MoleculeDescriptor &rhs){
|
---|
| 185 | MoleculeDescriptor::impl_ptr newImpl = MoleculeDescriptor::impl_ptr(new MoleculeOrDescriptor_impl(lhs.get_impl(),rhs.get_impl()));
|
---|
| 186 | return MoleculeDescriptor(newImpl);
|
---|
| 187 | }
|
---|
| 188 |
|
---|
| 189 | // NOT
|
---|
| 190 |
|
---|
| 191 | MoleculeNotDescriptor_impl::MoleculeNotDescriptor_impl(MoleculeDescriptor::impl_ptr _arg) :
|
---|
| 192 | arg(_arg)
|
---|
| 193 | {}
|
---|
| 194 |
|
---|
| 195 |
|
---|
| 196 | MoleculeNotDescriptor_impl::~MoleculeNotDescriptor_impl()
|
---|
| 197 | {
|
---|
| 198 | }
|
---|
| 199 |
|
---|
| 200 | bool MoleculeNotDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*> molecule){
|
---|
| 201 | return !(arg->predicate(molecule));
|
---|
| 202 | }
|
---|
| 203 |
|
---|
| 204 | MoleculeDescriptor operator!(const MoleculeDescriptor &arg){
|
---|
| 205 | MoleculeDescriptor::impl_ptr newImpl = MoleculeDescriptor::impl_ptr(new MoleculeNotDescriptor_impl(arg.get_impl()));
|
---|
| 206 | return MoleculeDescriptor(newImpl);
|
---|
| 207 | }
|
---|