source: src/Descriptors/MoleculeIdDescriptor.cpp@ fba720

Candidate_v1.6.1 ChemicalSpaceEvaluator TremoloParser_IncreasedPrecision
Last change on this file since fba720 was 9eb71b3, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Commented out MemDebug include and Memory::ignore.

  • MemDebug clashes with various allocation operators that use a specific placement in memory. It is so far not possible to wrap new/delete fully. Hence, we stop this effort which so far has forced us to put ever more includes (with clashes) into MemDebug and thereby bloat compilation time.
  • MemDebug does not add that much usefulness which is not also provided by valgrind.
  • Property mode set to 100644
File size: 2.4 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 * MoleculeIdDescriptor.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 "MoleculeIdDescriptor.hpp"
38#include "MoleculeIdDescriptor_impl.hpp"
39
40#include "CodePatterns/Observer/ObservedContainer_impl.hpp"
41
42#include "molecule.hpp"
43
44using namespace std;
45
46
47MoleculeIdDescriptor_impl::MoleculeIdDescriptor_impl(moleculeId_t _id) :
48 id(_id)
49{}
50
51MoleculeIdDescriptor_impl::~MoleculeIdDescriptor_impl()
52{}
53
54bool MoleculeIdDescriptor_impl::predicate(const std::pair<moleculeId_t,const molecule*> molecule) const{
55 return molecule.first==id;
56}
57
58MoleculeDescriptor MoleculeById(moleculeId_t id){
59 return MoleculeDescriptor(MoleculeDescriptor::impl_ptr(new MoleculeIdDescriptor_impl(id)));
60}
61
62molecule *MoleculeIdDescriptor_impl::find(){
63 World::MoleculeSet &molecules = getMolecules();
64 World::MoleculeSet::iterator res = molecules.find(id);
65 return (res!=molecules.end())?((*res).second):0;
66}
67
68const molecule *MoleculeIdDescriptor_impl::find() const {
69 const World::MoleculeSet &molecules = getMolecules();
70 const World::MoleculeSet::const_iterator res = molecules.find(id);
71 return (res!=molecules.end())?((*res).second):0;
72}
73
74vector<molecule*> MoleculeIdDescriptor_impl::findAll(){
75 molecule *res = find();
76 return (res)?(vector<molecule*>(1,res)):(vector<molecule*>());
77}
78
79vector<const molecule*> MoleculeIdDescriptor_impl::findAll() const {
80 const molecule *res = find();
81 return (res)?(vector<const molecule*>(1,res)):(vector<const molecule*>());
82}
83
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