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/********************************************************************** |
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bitvec.h - Vector of bits. |
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Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc. |
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Some portions Copyright (C) 2001-2005 by Geoffrey R. Hutchison |
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|
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This file is part of the Open Babel project. |
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For more information, see <http://openbabel.sourceforge.net/> |
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|
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This program is free software; you can redistribute it and/or modify |
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it under the terms of the GNU General Public License as published by |
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the Free Software Foundation version 2 of the License. |
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|
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This program is distributed in the hope that it will be useful, |
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but WITHOUT ANY WARRANTY; without even the implied warranty of |
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the |
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GNU General Public License for more details. |
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***********************************************************************/ |
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|
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#ifndef OB_BITVEC_H |
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#define OB_BITVEC_H |
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|
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#include "babelconfig.hpp" |
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|
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#ifdef WIN32 |
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#pragma warning (disable : 4786) |
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#endif |
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|
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#if HAVE_IOSTREAM |
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#include <iostream> |
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#elif HAVE_IOSTREAM_H |
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#include <iostream.h> |
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#endif |
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|
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#include <algorithm> |
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#include <vector> |
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#include <string> |
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|
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#ifndef SETWORD |
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#define SETWORD 32 |
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#endif |
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|
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#ifndef STARTWORDS |
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#define STARTWORDS 10 |
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#endif //STARTBITS |
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|
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namespace OpenBabel |
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{ |
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|
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// class introduction in bitvec.cpp |
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class OBAPI OBBitVec |
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{ |
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int _size; |
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std::vector<int> _set; |
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public: |
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OBBitVec() |
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{ |
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_set.resize(STARTWORDS); |
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_size=_set.size(); |
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Clear(); |
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} |
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OBBitVec(int bits) |
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{ |
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_set.resize(bits/SETWORD); |
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_size=_set.size(); |
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Clear(); |
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} |
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/// Copy constructor (result has same number of bits) |
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OBBitVec(const OBBitVec&); |
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void SetBitOn(int); |
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void SetBitOff(int); |
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void SetRangeOn(int, int); |
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void SetRangeOff(int, int); |
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void Fold(int); |
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|
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//! \return the index of the first bit that is set to true |
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int FirstBit(int) |
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{ |
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return (BitIsSet(0) ? 0 : NextBit(0)); |
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} |
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int NextBit(int); |
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//! \return the index of the last bit (for iterating) |
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int EndBit() { return(-1); } |
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/// \return number of 32 bit words. NOT number of bits. |
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int GetSize() const { return(_size); } |
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/// \return the number of bits |
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int CountBits(); |
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|
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/// \deprecated Use IsEmpty() instead. |
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bool Empty() { return(IsEmpty()); } |
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bool IsEmpty(); |
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///Number of bits increased if necessary but never decreased |
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bool Resize(int maxbits); |
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|
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bool BitIsSet(int bit) |
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{ |
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return((bit/SETWORD >= GetSize()) ? |
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false : _set[bit/SETWORD]>>(bit%SETWORD)&1); |
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} |
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bool BitIsOn(int bit) |
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{ |
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return((bit/SETWORD >= GetSize()) ? |
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false : _set[bit/SETWORD]>>(bit%SETWORD)&1); |
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} |
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|
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void FromVecInt(std::vector<int>&); |
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void FromString(std::string&,int); |
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void ToVecInt(std::vector<int>&); |
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void Clear(void); |
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//! Inverts every bit in the vector |
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void Negate() |
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{ |
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for (int i= 0; i != _size; i++) |
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{ |
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_set[i] = ~_set[i]; |
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} |
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} |
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|
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///Assignment operator but number of bits is not reduced |
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OBBitVec &operator= (const OBBitVec &); |
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OBBitVec &operator&= (OBBitVec &); |
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OBBitVec &operator|= (OBBitVec &); |
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OBBitVec &operator|= (const int i) |
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{ |
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SetBitOn(i); |
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return(*this); |
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} |
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OBBitVec &operator^= (OBBitVec &); |
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OBBitVec &operator-= (OBBitVec &); |
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OBBitVec &operator+= (OBBitVec &bv); |
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bool operator[] (int bit) |
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{ |
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return((bit/SETWORD >= GetSize()) ? |
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false : _set[bit/SETWORD]>>(bit%SETWORD)&1); |
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} |
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|
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friend OBBitVec operator| (OBBitVec &, OBBitVec &); |
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friend OBBitVec operator& (OBBitVec &,OBBitVec &); |
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friend OBBitVec operator^ (OBBitVec &,OBBitVec &); |
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friend OBBitVec operator- (OBBitVec &,OBBitVec &); |
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friend bool operator== (const OBBitVec &,const OBBitVec &); |
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|
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friend std::istream& operator>> ( std::istream&, OBBitVec& ); |
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friend std::ostream& operator<< ( std::ostream&, const OBBitVec& ) ; |
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|
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///Access to data in word size pieces CM |
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void GetWords(std::vector<unsigned int>& vec) |
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{ |
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std::vector<int>::iterator itr; |
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for(itr=_set.begin();itr!=_set.end();itr++) |
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vec.push_back(*itr); |
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} |
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}; |
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|
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OBAPI extern void ThrowError(char *); |
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///This function can change the size of second parameter. There is an alternative with different parameters. |
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OBAPI double Tanimoto(OBBitVec&,OBBitVec&); |
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|
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} |
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#endif // OB_BITVEC_H |
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|
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//! \file bitvec.h |
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//! \brief Fast and efficient bitstring class |
