RDKit
Open-source cheminformatics and machine learning.
BitVect.h
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1 //
2 // Copyright (c) 2003-2008 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 #include <RDGeneral/export.h>
11 #ifndef __RD_BITVECT_H__
12 #define __RD_BITVECT_H__
13 
14 #include <vector>
15 #include <string>
16 
17 typedef std::vector<int> IntVect;
18 typedef IntVect::iterator IntVectIter;
19 typedef std::vector<double> DoubleVect;
20 typedef DoubleVect::iterator DoubleVectIter;
21 const int ci_BITVECT_VERSION = 0x0020; //!< version number to use in pickles
22 
23 //! Abstract base class for storing BitVectors
25  public:
26  virtual ~BitVect() = 0;
27  //! sets a particular bit and returns its original value
28  virtual bool setBit(const unsigned int which) = 0;
29  //! unsets a particular bit and returns its original value
30  virtual bool unsetBit(const unsigned int which) = 0;
31  //! returns the value of a particular bit
32  virtual bool getBit(const unsigned int which) const = 0;
33  //! returns the number of bits (the length of the BitVect)
34  virtual unsigned int getNumBits() const = 0;
35  //! returns the number of on bits
36  virtual unsigned int getNumOnBits() const = 0;
37  //! returns the number of off bits
38  virtual unsigned int getNumOffBits() const = 0;
39  //! replaces the contents of \c v with indices of our on bits
40  virtual void getOnBits(IntVect& v) const = 0;
41  //! clears (sets to off) all of our bits
42  virtual void clearBits() = 0;
43 
44  //! initializes this BitVect from a pickle
45  /*!
46  \param data the raw pickle data
47  \param dataLen the length of \c data
48  \param isBase64 (optional) if this is set, \c data is assumed to
49  be base64 encoded.
50  \param allowOldFormat (optional) allows a very old form of the BitVect
51  representation to be recognized. This argument disables a large
52  amount of error checking and it is strongly suggested that it not
53  be used in client code.
54  */
55  void initFromText(const char* data, const unsigned int dataLen,
56  bool isBase64 = false, bool allowOldFormat = false);
57 
58  //! returns a serialized (pickled) version of this BitVect
59  virtual std::string toString() const = 0;
60 
61  virtual bool operator[](const unsigned int which) const = 0;
62  unsigned int size() const { return getNumBits(); }
63 
64  private:
65  virtual void _initForSize(const unsigned int size) = 0;
66 };
67 
68 #endif
DoubleVect::iterator DoubleVectIter
Definition: BitVect.h:20
IntVect::iterator IntVectIter
Definition: BitVect.h:18
#define RDKIT_DATASTRUCTS_EXPORT
Definition: export.h:112
const int ci_BITVECT_VERSION
version number to use in pickles
Definition: BitVect.h:21
unsigned int size() const
Definition: BitVect.h:62
std::vector< double > DoubleVect
Definition: BitVect.h:19
std::vector< int > IntVect
Definition: BitVect.h:17
Abstract base class for storing BitVectors.
Definition: BitVect.h:24