source: src/Descriptors/MoleculeDescriptor.cpp@ 97dff0

Last change on this file since 97dff0 was 94d5ac6, checked in by Frederik Heber <heber@…>, 12 years ago

FIX: As we use GSL internally, we are as of now required to use GPL v2 license.

  • GNU Scientific Library is used at every place in the code, especially the sub-package LinearAlgebra is based on it which in turn is used really everywhere in the remainder of MoleCuilder. Hence, we have to use the GPL license for the whole of MoleCuilder. In effect, GPL's COPYING was present all along and stated the terms of the GPL v2 license.
  • Hence, I added the default GPL v2 disclaimer to every source file and removed the note about a (actually missing) LICENSE file.
  • also, I added a help-redistribute action which again gives the disclaimer of the GPL v2.
  • also, I changed in the disclaimer that is printed at every program start in builder_init.cpp.
  • TEST: Added check on GPL statement present in every module to test CodeChecks project-disclaimer.
  • Property mode set to 100644
File size: 5.7 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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/>.
21 */
22
23/*
24 * MoleculeDescriptor.cpp
25 *
26 * Created on: Feb 5, 2010
27 * Author: crueger
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35#include "CodePatterns/MemDebug.hpp"
36
37#include "Descriptors/MoleculeDescriptor.hpp"
38#include "Descriptors/MoleculeDescriptor_impl.hpp"
39
40#include "World.hpp"
41#include "CodePatterns/Observer/ObservedContainer_impl.hpp"
42
43#include "molecule.hpp"
44
45#include <boost/bind.hpp>
46#include <iostream>
47
48using namespace std;
49
50typedef World::MoleculeSet::internal_iterator molecules_iter_t;
51
52/************************ Forwarding object **************************************/
53
54
55MoleculeDescriptor::MoleculeDescriptor(impl_ptr _impl) :
56 impl(_impl)
57{}
58
59MoleculeDescriptor::MoleculeDescriptor(const MoleculeDescriptor& src) :
60 impl(src.get_impl())
61{}
62
63MoleculeDescriptor::~MoleculeDescriptor()
64{}
65
66MoleculeDescriptor& MoleculeDescriptor::operator=(MoleculeDescriptor &src){
67 if(&src!=this) {
68 impl=src.get_impl();
69 }
70 return *this;
71}
72
73molecule* MoleculeDescriptor::find(){
74 return impl->find();
75}
76
77std::vector<molecule*> MoleculeDescriptor::findAll(){
78 return impl->findAll();
79}
80
81MoleculeDescriptor::impl_ptr MoleculeDescriptor::get_impl() const{
82 return impl;
83}
84
85
86
87
88/**************************** implementation ********************/
89
90MoleculeDescriptor_impl::MoleculeDescriptor_impl()
91{
92}
93
94MoleculeDescriptor_impl::~MoleculeDescriptor_impl()
95{
96}
97
98World::MoleculeSet& MoleculeDescriptor_impl::getMolecules(){
99 return World::getInstance().molecules;
100}
101
102molecule* MoleculeDescriptor_impl::find() {
103 World::MoleculeSet &molecules = getMolecules();
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;
106}
107
108vector<molecule*> MoleculeDescriptor_impl::findAll() {
109 vector<molecule*> res;
110 World::MoleculeSet &molecules = getMolecules();
111 for_each(molecules.begin_internal(),
112 molecules.end_internal(),
113 boost::bind(&MoleculeDescriptor_impl::checkAndAdd,
114 this,&res,_1));
115 return res;
116}
117
118void 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
124/************************** Universe and Emptyset *****************/
125
126MoleculeAllDescriptor_impl::MoleculeAllDescriptor_impl()
127{}
128
129MoleculeAllDescriptor_impl::~MoleculeAllDescriptor_impl()
130{}
131
132bool MoleculeAllDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*>){
133 return true;
134}
135
136MoleculeDescriptor AllMolecules(){
137 return MoleculeDescriptor(MoleculeDescriptor::impl_ptr(new MoleculeAllDescriptor_impl));
138}
139
140MoleculeNoneDescriptor_impl::MoleculeNoneDescriptor_impl()
141{}
142
143MoleculeNoneDescriptor_impl::~MoleculeNoneDescriptor_impl()
144{}
145
146bool MoleculeNoneDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*>){
147 return false;
148}
149
150MoleculeDescriptor NoMolecules(){
151 return MoleculeDescriptor(MoleculeDescriptor::impl_ptr(new MoleculeNoneDescriptor_impl));
152}
153
154/************************** Operator stuff ************************/
155
156// AND
157MoleculeAndDescriptor_impl::MoleculeAndDescriptor_impl(MoleculeDescriptor::impl_ptr _lhs, MoleculeDescriptor::impl_ptr _rhs) :
158 lhs(_lhs), rhs(_rhs)
159{}
160
161MoleculeAndDescriptor_impl::~MoleculeAndDescriptor_impl()
162{}
163
164bool MoleculeAndDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*> molecule){
165 return lhs->predicate(molecule) && rhs->predicate(molecule);
166}
167MoleculeDescriptor 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
173MoleculeOrDescriptor_impl::MoleculeOrDescriptor_impl(MoleculeDescriptor::impl_ptr _lhs ,MoleculeDescriptor::impl_ptr _rhs) :
174 lhs(_lhs), rhs(_rhs)
175{}
176
177MoleculeOrDescriptor_impl::~MoleculeOrDescriptor_impl(){
178}
179
180bool MoleculeOrDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*> molecule){
181 return lhs->predicate(molecule) || rhs->predicate(molecule);
182}
183
184MoleculeDescriptor 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
191MoleculeNotDescriptor_impl::MoleculeNotDescriptor_impl(MoleculeDescriptor::impl_ptr _arg) :
192 arg(_arg)
193{}
194
195
196MoleculeNotDescriptor_impl::~MoleculeNotDescriptor_impl()
197{
198}
199
200bool MoleculeNotDescriptor_impl::predicate(std::pair<moleculeId_t,molecule*> molecule){
201 return !(arg->predicate(molecule));
202}
203
204MoleculeDescriptor operator!(const MoleculeDescriptor &arg){
205 MoleculeDescriptor::impl_ptr newImpl = MoleculeDescriptor::impl_ptr(new MoleculeNotDescriptor_impl(arg.get_impl()));
206 return MoleculeDescriptor(newImpl);
207}
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