/src/rdkit/Code/GraphMol/BondIterators.h
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1 | | // |
2 | | // Copyright (C) 2002-2006 Greg Landrum and Rational Discovery LLC |
3 | | // |
4 | | // @@ All Rights Reserved @@ |
5 | | // This file is part of the RDKit. |
6 | | // The contents are covered by the terms of the BSD license |
7 | | // which is included in the file license.txt, found at the root |
8 | | // of the RDKit source tree. |
9 | | // |
10 | | /*! \file BondIterators.h |
11 | | |
12 | | \brief various tools for iterating over a molecule's Bonds |
13 | | |
14 | | <b>WARNING:</b> If you go changing the molecule underneath one of |
15 | | these iterators you will be sad... |
16 | | */ |
17 | | #include <RDGeneral/export.h> |
18 | | #ifndef _RD_BOND_ITERATORS_H |
19 | | #define _RD_BOND_ITERATORS_H |
20 | | |
21 | | #include "ROMol.h" |
22 | | |
23 | | namespace RDKit { |
24 | | |
25 | | //! \brief iterator for a molecule's bonds, currently BiDirectional, |
26 | | //! but it theoretically ought to be RandomAccess. |
27 | | class RDKIT_GRAPHMOL_EXPORT BondIterator_ { |
28 | | // FIX: I'm not pleased with the lack of internal testing code |
29 | | // (PREs and the like) in here |
30 | | public: |
31 | 0 | BondIterator_() {} |
32 | | BondIterator_(ROMol *mol); |
33 | | BondIterator_(ROMol *mol, ROMol::EDGE_ITER pos); |
34 | | BondIterator_(const BondIterator_ &other); |
35 | | BondIterator_ &operator=(const BondIterator_ &other); |
36 | | bool operator==(const BondIterator_ &other) const; |
37 | | bool operator!=(const BondIterator_ &other) const; |
38 | | Bond *operator*() const; |
39 | | // pre-increment |
40 | | BondIterator_ &operator++(); |
41 | | BondIterator_ operator++(int); |
42 | | // pre-decrement |
43 | | BondIterator_ &operator--(); |
44 | | BondIterator_ operator--(int); |
45 | | |
46 | | private: |
47 | | ROMol::EDGE_ITER _beg, _end, _pos; |
48 | | ROMol *_mol{nullptr}; |
49 | | }; |
50 | | //! \brief const iterator for a molecule's bonds, currently BiDirectional, |
51 | | //! but it theoretically ought to be RandomAccess. |
52 | | class RDKIT_GRAPHMOL_EXPORT ConstBondIterator_ { |
53 | | public: |
54 | 0 | ConstBondIterator_() {} |
55 | | ConstBondIterator_(ROMol const *mol); |
56 | | ConstBondIterator_(ROMol const *mol, ROMol::EDGE_ITER pos); |
57 | | ConstBondIterator_(const ConstBondIterator_ &other); |
58 | | ConstBondIterator_ &operator=(const ConstBondIterator_ &other); |
59 | | bool operator==(const ConstBondIterator_ &other) const; |
60 | | bool operator!=(const ConstBondIterator_ &other) const; |
61 | | Bond const *operator*() const; |
62 | | // pre-increment |
63 | | ConstBondIterator_ &operator++(); |
64 | | ConstBondIterator_ operator++(int); |
65 | | // pre-decrement |
66 | | ConstBondIterator_ &operator--(); |
67 | | ConstBondIterator_ operator--(int); |
68 | | |
69 | | private: |
70 | | ROMol::EDGE_ITER _beg, _end, _pos; |
71 | | ROMol const *_mol{nullptr}; |
72 | | }; |
73 | | } // namespace RDKit |
74 | | |
75 | | #endif |