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152 lines
4.3 KiB
C++
152 lines
4.3 KiB
C++
//
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// Copyright (C) 2004-2008 Greg Landrum and Rational Discovery LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#ifndef __RD_DISCRETE_VALUE_VECT_20050124__
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#define __RD_DISCRETE_VALUE_VECT_20050124__
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#include <boost/smart_ptr.hpp>
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#include <string>
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#include <cstring>
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#include <boost/cstdint.hpp>
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namespace RDKit{
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// we require 32bit unsigneds using the boost::uint32_t type:
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const unsigned int BITS_PER_INT=32;
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//! a class for efficiently storing vectors of discrete values
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class DiscreteValueVect {
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public:
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typedef boost::shared_array<boost::uint32_t> DATA_SPTR;
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//! used to define the possible range of the values
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typedef enum {
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ONEBITVALUE=0,
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TWOBITVALUE,
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FOURBITVALUE,
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EIGHTBITVALUE,
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SIXTEENBITVALUE,
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} DiscreteValueType;
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//! initialize with a particular type and size
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DiscreteValueVect(DiscreteValueType valType, unsigned int length) : d_type(valType), d_length(length) {
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d_bitsPerVal = (1 << static_cast<unsigned int>(valType));
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d_valsPerInt = BITS_PER_INT/d_bitsPerVal;
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d_numInts = (length + d_valsPerInt -1)/d_valsPerInt;
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d_mask = ((1<<d_bitsPerVal) -1);
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boost::uint32_t *data = new boost::uint32_t[d_numInts];
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memset(static_cast<void *>(data),0,d_numInts*sizeof(boost::uint32_t));
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d_data.reset(data);
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}
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//! Copy constructor
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DiscreteValueVect(const DiscreteValueVect& other);
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//! constructor from a pickle
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DiscreteValueVect(const std::string &pkl){
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initFromText(pkl.c_str(),pkl.size());
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};
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//! constructor from a pickle
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DiscreteValueVect(const char *pkl,const unsigned int len){
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initFromText(pkl,len);
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};
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~DiscreteValueVect() {}
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//! return the value at an index
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unsigned int getVal(unsigned int i) const;
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//! support indexing using []
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int operator[] (unsigned int idx) const { return getVal(idx); };
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//! set the value at an index
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/*!
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NOTE: it is an error to have val > the max value this
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DiscreteValueVect can accomodate
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*/
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void setVal(unsigned int i, unsigned int val);
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//! returns the sum of all the elements in the vect
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unsigned int getTotalVal() const;
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//! returns the length
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unsigned int getLength() const;
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//! returns the length
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unsigned int size() const { return getLength(); };
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//! return a pointer to our raw data storage
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const boost::uint32_t *getData() const;
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//! return the number of bits used to store each value
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unsigned int getNumBitsPerVal() const {
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return d_bitsPerVal;
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}
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//! return the type of value being stored
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DiscreteValueType getValueType() const {
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return d_type;
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}
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//! returns the size of our storage
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unsigned int getNumInts() const {
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return d_numInts;
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}
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//! support dvv3 = dvv1&dvv2
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/*!
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operator& returns the minimum value for each element.
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e.g.:
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[0,1,2,0] & [0,1,1,1] -> [0,1,1,0]
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*/
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DiscreteValueVect operator& (const DiscreteValueVect &other) const;
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//! support dvv3 = dvv1|dvv2
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/*!
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operator& returns the maximum value for each element.
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e.g.:
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[0,1,2,0] | [0,1,1,1] -> [0,1,2,1]
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*/
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DiscreteValueVect operator| (const DiscreteValueVect &other) const;
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//DiscreteValueVect operator^ (const DiscreteValueVect &other) const;
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//DiscreteValueVect operator~ () const;
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DiscreteValueVect& operator+=(const DiscreteValueVect &other);
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DiscreteValueVect& operator-=(const DiscreteValueVect &other);
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//! returns a binary string representation (pickle)
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std::string toString() const;
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private:
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DiscreteValueType d_type;
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unsigned int d_bitsPerVal;
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unsigned int d_valsPerInt;
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unsigned int d_numInts;
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unsigned int d_length;
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unsigned int d_mask;
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DATA_SPTR d_data;
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void initFromText(const char *pkl,const unsigned int len);
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};
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unsigned int computeL1Norm(const DiscreteValueVect &v1, const DiscreteValueVect &v2);
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DiscreteValueVect operator+ (const DiscreteValueVect& p1,
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const DiscreteValueVect& p2);
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DiscreteValueVect operator- (const DiscreteValueVect& p1,
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const DiscreteValueVect& p2);
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}
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#endif
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