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45b9aef28b
* run clang-tidy with modernize-use-default-member-init * results from modernize-use-emplace * one uniform initialization per line otherwise SWIG is unhappy Co-authored-by: Brian Kelley <fustigator@gmail.com>
76 lines
2.3 KiB
C++
76 lines
2.3 KiB
C++
//
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// Copyright (C) 2002-2006 Greg Landrum and Rational Discovery LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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/*! \file BondIterators.h
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\brief various tools for iterating over a molecule's Bonds
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<b>WARNING:</b> If you go changing the molecule underneath one of
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these iterators you will be sad...
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*/
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#include <RDGeneral/export.h>
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#ifndef _RD_BOND_ITERATORS_H
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#define _RD_BOND_ITERATORS_H
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#include "ROMol.h"
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namespace RDKit {
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//! \brief iterator for a molecule's bonds, currently BiDirectional,
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//! but it theoretically ought to be RandomAccess.
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class RDKIT_GRAPHMOL_EXPORT BondIterator_ {
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// FIX: I'm not pleased with the lack of internal testing code
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// (PREs and the like) in here
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public:
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BondIterator_() {};
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BondIterator_(ROMol *mol);
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BondIterator_(ROMol *mol, ROMol::EDGE_ITER pos);
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BondIterator_(const BondIterator_ &other);
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BondIterator_ &operator=(const BondIterator_ &other);
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bool operator==(const BondIterator_ &other) const;
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bool operator!=(const BondIterator_ &other) const;
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Bond *operator*() const;
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// pre-increment
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BondIterator_ &operator++();
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BondIterator_ operator++(int);
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// pre-decrement
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BondIterator_ &operator--();
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BondIterator_ operator--(int);
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private:
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ROMol::EDGE_ITER _beg, _end, _pos;
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ROMol *_mol{nullptr};
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};
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//! \brief const iterator for a molecule's bonds, currently BiDirectional,
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//! but it theoretically ought to be RandomAccess.
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class RDKIT_GRAPHMOL_EXPORT ConstBondIterator_ {
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public:
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ConstBondIterator_() {};
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ConstBondIterator_(ROMol const *mol);
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ConstBondIterator_(ROMol const *mol, ROMol::EDGE_ITER pos);
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ConstBondIterator_(const ConstBondIterator_ &other);
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ConstBondIterator_ &operator=(const ConstBondIterator_ &other);
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bool operator==(const ConstBondIterator_ &other) const;
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bool operator!=(const ConstBondIterator_ &other) const;
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Bond const *operator*() const;
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// pre-increment
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ConstBondIterator_ &operator++();
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ConstBondIterator_ operator++(int);
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// pre-decrement
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ConstBondIterator_ &operator--();
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ConstBondIterator_ operator--(int);
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private:
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ROMol::EDGE_ITER _beg, _end, _pos;
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ROMol const *_mol{nullptr};
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};
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} // namespace RDKit
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#endif
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