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9cabf87374
remove const specifiers from return values in DataStructs add initial pass at query-query matching for Atoms and Bonds fix and test for sf.net issu 2738320 add Mol.AddRecursiveQuery() method to Mol
71 lines
2.0 KiB
C++
Executable File
71 lines
2.0 KiB
C++
Executable File
//
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// Copyright (c) 2003-2008 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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#ifndef __RD_EXPLICITBITVECTS_H__
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#define __RD_EXPLICITBITVECTS_H__
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#include <boost/dynamic_bitset.hpp>
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#include "BitVect.h"
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//! a class for bit vectors that are densely occupied
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/*!
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ExplicitBitVect objects store all of their bits using
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a boost::dynamic_bitset
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These are very fast, but can require large amounts of memory for large,
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sparsely occupied vectors.
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*/
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class ExplicitBitVect : public BitVect {
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public:
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ExplicitBitVect() : dp_bits(0), d_size(0), d_numOnBits(0) {};
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//! initialize with a particular size;
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explicit ExplicitBitVect(unsigned int size) : dp_bits(0), d_size(0), d_numOnBits(0) {_InitForSize(size);};
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ExplicitBitVect(const ExplicitBitVect& other);
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//! construct from a string pickle
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ExplicitBitVect(const std::string &);
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//! construct from a text pickle
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ExplicitBitVect(const char *,const unsigned int);
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~ExplicitBitVect();
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ExplicitBitVect& operator=(const ExplicitBitVect& other);
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bool operator[] (const unsigned int which) const;
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bool SetBit(const unsigned int which);
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bool UnSetBit(const unsigned int which);
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bool GetBit(const unsigned int which) const;
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ExplicitBitVect operator^ (const ExplicitBitVect &other) const;
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ExplicitBitVect operator& (const ExplicitBitVect &other) const;
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ExplicitBitVect operator| (const ExplicitBitVect &other) const;
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ExplicitBitVect operator~ () const;
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unsigned int GetNumBits() const;
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unsigned int GetNumOnBits() const;
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unsigned int GetNumOffBits() const;
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void GetOnBits (IntVect& v) const;
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// FIX: complete these
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void ClearBits() { dp_bits->reset(); };
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std::string ToString() const;
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boost::dynamic_bitset<> *dp_bits; //!< our raw storage
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bool operator==(const ExplicitBitVect &o) const {
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return *dp_bits==*o.dp_bits;
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}
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bool operator!=(const ExplicitBitVect &o) const {
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return *dp_bits!=*o.dp_bits;
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}
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private:
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unsigned int d_size;
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unsigned int d_numOnBits;
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void _InitForSize(const unsigned int size);
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};
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#endif
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