source: src/Fragmentation/Homology/FragmentEdge.cpp@ 77b350

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Last change on this file since 77b350 was 8387e0, checked in by Frederik Heber <heber@…>, 12 years ago

Added FragmentNode and FragmentEdge to contain all information for comparing upcoming HomologyGraphs.

  • added unit tests on both contained comparator functions.
  • Property mode set to 100644
File size: 3.4 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. All rights reserved.
5 * Please see the COPYING file or "Copyright notice" in builder.cpp for details.
6 *
7 *
8 * This file is part of MoleCuilder.
9 *
10 * MoleCuilder is free software: you can redistribute it and/or modify
11 * it under the terms of the GNU General Public License as published by
12 * the Free Software Foundation, either version 2 of the License, or
13 * (at your option) any later version.
14 *
15 * MoleCuilder is distributed in the hope that it will be useful,
16 * but WITHOUT ANY WARRANTY; without even the implied warranty of
17 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18 * GNU General Public License for more details.
19 *
20 * You should have received a copy of the GNU General Public License
21 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
22 */
23
24/*
25 * FragmentEdge.cpp
26 *
27 * Created on: Sep 24, 2012
28 * Author: heber
29 */
30
31
32// include config.h
33#ifdef HAVE_CONFIG_H
34#include <config.h>
35#endif
36
37#include "CodePatterns/MemDebug.hpp"
38
39#include "FragmentEdge.hpp"
40
41#include <iostream>
42
43#include "CodePatterns/Assert.hpp"
44
45FragmentEdge::FragmentEdge() :
46 AtomicNumberPair(std::make_pair(0,0))
47{}
48
49FragmentEdge::FragmentEdge(const AtomicNumberPair_t &_pair) :
50 AtomicNumberPair(_pair)
51{
52 ASSERT( AtomicNumberPair.first < AtomicNumberPair.second,
53 "FragmentEdge::FragmentEdge() - when giving as pair, first must be less than second.");
54}
55
56FragmentEdge::FragmentEdge(const size_t _left, const size_t _right) :
57 AtomicNumberPair( _left < _right ? std::make_pair(_left,_right) : std::make_pair(_right,_left))
58{}
59
60/** Assignment operator for class FragmentEdge.
61 *
62 * We need this assignment to overcome the constness of the member. For STL
63 * containers default cstors and usable assignment ops are required. This
64 * const_cast is only way to allow for const member variables.
65 *
66 * @param edge other instance to use in assignment
67 * @return this instance for concatenation
68 */
69FragmentEdge& FragmentEdge::operator=(const FragmentEdge &edge)
70{
71 // check self-assignment
72 if (this != &edge) {
73 const_cast<AtomicNumberPair_t &>(this->AtomicNumberPair) = edge.AtomicNumberPair;
74 }
75 return *this;
76}
77
78bool FragmentEdge::operator<(const FragmentEdge &edge) const
79{
80 if (AtomicNumberPair.first < edge.AtomicNumberPair.first) {
81 return true;
82 } else if (AtomicNumberPair.first > edge.AtomicNumberPair.first) {
83 return false;
84 } else {
85 if (AtomicNumberPair.second < edge.AtomicNumberPair.second)
86 return true;
87 else
88 return false;
89 }
90}
91
92bool FragmentEdge::operator>(const FragmentEdge &edge) const
93{
94 if (AtomicNumberPair.first > edge.AtomicNumberPair.first) {
95 return true;
96 } else if (AtomicNumberPair.first < edge.AtomicNumberPair.first) {
97 return false;
98 } else {
99 if (AtomicNumberPair.second > edge.AtomicNumberPair.second)
100 return true;
101 else
102 return false;
103 }
104}
105
106bool FragmentEdge::operator==(const FragmentEdge &edge) const
107{
108 if (AtomicNumberPair.first != edge.AtomicNumberPair.first) {
109 return false;
110 } else {
111 return (AtomicNumberPair.second == edge.AtomicNumberPair.second);
112 }
113}
114
115std::ostream& operator<<(std::ostream &out, const FragmentEdge &edge)
116{
117 out << edge.AtomicNumberPair.first << "<->" << edge.AtomicNumberPair.second;
118 return out;
119}
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