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e05580e495
instead of using the property map interface. A nice side-effect is that the wart of having to use property maps to loop over bonds or atom neighbors is now gone. This potentially breaks lots of client C++ code.
71 lines
2.1 KiB
C++
Executable File
71 lines
2.1 KiB
C++
Executable File
//
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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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//
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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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#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 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_() : _mol(NULL) {};
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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);
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bool operator!=(const BondIterator_ &other);
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Bond *operator*();
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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;
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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 ConstBondIterator_ {
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public:
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ConstBondIterator_() : _mol(NULL) {};
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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);
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bool operator!=(const ConstBondIterator_ &other);
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Bond const *operator*();
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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;
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};
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}
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#endif
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