1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
|
// $Id: BondIterators.cpp 1528 2010-09-26 17:04:37Z glandrum $
//
// Copyright (C) 2002-2006 Greg Landrum and Rational Discovery LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include "BondIterators.h"
namespace RDKit{
BondIterator_::BondIterator_(ROMol *mol) {
_mol = mol;
boost::tie(_beg,_end)=mol->getEdges();
_pos = _beg;
};
BondIterator_::BondIterator_(ROMol *mol,ROMol::EDGE_ITER pos) {
_mol = mol;
boost::tie(_beg,_end)=mol->getEdges();
_pos = pos;
};
BondIterator_::BondIterator_(const BondIterator_ &other){
_mol = other._mol;
_pos = other._pos;
_beg = other._beg;
_end = other._end;
}
BondIterator_ &BondIterator_::operator=(const BondIterator_ &other){
_mol = other._mol;
_pos = other._pos;
_beg = other._beg;
_end = other._end;
return *this;
}
bool BondIterator_::operator==(const BondIterator_ &other){
return _mol==other._mol && _pos==other._pos;
}
bool BondIterator_::operator!=(const BondIterator_ &other){
return _mol!=other._mol || _pos!=other._pos;
}
Bond *BondIterator_::operator*() {
return (*_mol)[*_pos].get();
}
// pre-increment
BondIterator_ &BondIterator_::operator++() {
PRECONDITION(_pos!=_end,"bad initial position")
_pos++;
return *this;
}
BondIterator_ BondIterator_::operator++(int) {
PRECONDITION(_pos!=_end,"bad initial position")
BondIterator_ res(*this);
_pos++;
return res;
}
// pre-decrement
BondIterator_ &BondIterator_::operator--() {
if(_pos == _beg) _pos = _end;
else _pos--;
return *this;
}
BondIterator_ BondIterator_::operator--(int) {
BondIterator_ res(*this);
if(_pos == _beg) _pos = _end;
else _pos--;
return res;
}
// CONST
ConstBondIterator_::ConstBondIterator_(ROMol const *mol) {
_mol = mol;
boost::tie(_beg,_end)=mol->getEdges();
_pos = _beg;
};
ConstBondIterator_::ConstBondIterator_(ROMol const *mol,ROMol::EDGE_ITER pos) {
_mol = mol;
boost::tie(_beg,_end)=mol->getEdges();
_pos = pos;
};
ConstBondIterator_::ConstBondIterator_(const ConstBondIterator_ &other){
_mol = other._mol;
_pos = other._pos;
_beg = other._beg;
_end = other._end;
}
ConstBondIterator_ &ConstBondIterator_::operator=(const ConstBondIterator_ &other){
_mol = other._mol;
_pos = other._pos;
_beg = other._beg;
_end = other._end;
return *this;
}
bool ConstBondIterator_::operator==(const ConstBondIterator_ &other){
return _mol==other._mol && _pos==other._pos;
}
bool ConstBondIterator_::operator!=(const ConstBondIterator_ &other){
return _mol!=other._mol || _pos!=other._pos;
}
Bond const *ConstBondIterator_::operator*() {
return (*_mol)[*_pos].get();
}
// pre-increment
ConstBondIterator_ &ConstBondIterator_::operator++() {
PRECONDITION(_pos!=_end,"bad initial position")
_pos++;
return *this;
}
ConstBondIterator_ ConstBondIterator_::operator++(int) {
ConstBondIterator_ res(*this);
PRECONDITION(_pos!=_end,"bad initial position")
_pos++;
return res;
}
// pre-decrement
ConstBondIterator_ &ConstBondIterator_::operator--() {
if(_pos == _beg) _pos = _end;
else _pos--;
return *this;
}
ConstBondIterator_ ConstBondIterator_::operator--(int) {
ConstBondIterator_ res(*this);
if(_pos == _beg) _pos = _end;
else _pos--;
return res;
}
}
|
