// // Copyright (c) 2003-2008 greg Landrum and Rational Discovery LLC // // @@ All Rights Reserved @@ // This file is part of the RDKit. // The contents are covered by the terms of the BSD license // which is included in the file license.txt, found at the root // of the RDKit source tree. // #include #ifndef __RD_BITVECT_H__ #define __RD_BITVECT_H__ #include #include typedef std::vector IntVect; typedef IntVect::iterator IntVectIter; typedef std::vector DoubleVect; typedef DoubleVect::iterator DoubleVectIter; const int ci_BITVECT_VERSION = 0x0020; //!< version number to use in pickles //! Abstract base class for storing BitVectors class RDKIT_DATASTRUCTS_EXPORT BitVect { public: virtual ~BitVect() = 0; //! sets a particular bit and returns its original value virtual bool setBit(const unsigned int which) = 0; //! unsets a particular bit and returns its original value virtual bool unsetBit(const unsigned int which) = 0; //! returns the value of a particular bit virtual bool getBit(const unsigned int which) const = 0; //! returns the number of bits (the length of the BitVect) virtual unsigned int getNumBits() const = 0; //! returns the number of on bits virtual unsigned int getNumOnBits() const = 0; //! returns the number of off bits virtual unsigned int getNumOffBits() const = 0; //! replaces the contents of \c v with indices of our on bits virtual void getOnBits(IntVect& v) const = 0; //! clears (sets to off) all of our bits virtual void clearBits() = 0; //! initializes this BitVect from a pickle /*! \param data the raw pickle data \param dataLen the length of \c data \param isBase64 (optional) if this is set, \c data is assumed to be base64 encoded. \param allowOldFormat (optional) allows a very old form of the BitVect representation to be recognized. This argument disables a large amount of error checking and it is strongly suggested that it not be used in client code. */ void initFromText(const char* data, const unsigned int dataLen, bool isBase64 = false, bool allowOldFormat = false); //! returns a serialized (pickled) version of this BitVect virtual std::string toString() const = 0; virtual bool operator[](const unsigned int which) const = 0; unsigned int size() const { return getNumBits(); } private: virtual void _initForSize(const unsigned int size) = 0; }; #endif