RDKit
Open-source cheminformatics and machine learning.
RDKit::DiscreteValueVect Class Reference

a class for efficiently storing vectors of discrete values More...

#include <DiscreteValueVect.h>

Public Types

enum  DiscreteValueType {
  ONEBITVALUE = 0, TWOBITVALUE, FOURBITVALUE, EIGHTBITVALUE,
  SIXTEENBITVALUE
}
 used to define the possible range of the values More...
 
typedef boost::shared_array< boost::uint32_t > DATA_SPTR
 

Public Member Functions

 DiscreteValueVect (DiscreteValueType valType, unsigned int length)
 initialize with a particular type and size More...
 
 DiscreteValueVect (const DiscreteValueVect &other)
 Copy constructor. More...
 
 DiscreteValueVect (const std::string &pkl)
 constructor from a pickle More...
 
 DiscreteValueVect (const char *pkl, const unsigned int len)
 constructor from a pickle More...
 
 ~DiscreteValueVect ()
 
unsigned int getVal (unsigned int i) const
 return the value at an index More...
 
int operator[] (unsigned int idx) const
 support indexing using [] More...
 
void setVal (unsigned int i, unsigned int val)
 set the value at an index More...
 
unsigned int getTotalVal () const
 returns the sum of all the elements in the vect More...
 
unsigned int getLength () const
 returns the length More...
 
unsigned int size () const
 returns the length More...
 
const boost::uint32_t * getData () const
 return a pointer to our raw data storage More...
 
unsigned int getNumBitsPerVal () const
 return the number of bits used to store each value More...
 
DiscreteValueType getValueType () const
 return the type of value being stored More...
 
unsigned int getNumInts () const
 returns the size of our storage More...
 
DiscreteValueVect operator& (const DiscreteValueVect &other) const
 support dvv3 = dvv1&dvv2 More...
 
DiscreteValueVect operator| (const DiscreteValueVect &other) const
 support dvv3 = dvv1|dvv2 More...
 
DiscreteValueVectoperator+= (const DiscreteValueVect &other)
 
DiscreteValueVectoperator-= (const DiscreteValueVect &other)
 
std::string toString () const
 returns a binary string representation (pickle) More...
 

Detailed Description

a class for efficiently storing vectors of discrete values

Definition at line 23 of file DiscreteValueVect.h.

Member Typedef Documentation

typedef boost::shared_array<boost::uint32_t> RDKit::DiscreteValueVect::DATA_SPTR

Definition at line 25 of file DiscreteValueVect.h.

Member Enumeration Documentation

used to define the possible range of the values

Enumerator
ONEBITVALUE 
TWOBITVALUE 
FOURBITVALUE 
EIGHTBITVALUE 
SIXTEENBITVALUE 

Definition at line 28 of file DiscreteValueVect.h.

Constructor & Destructor Documentation

RDKit::DiscreteValueVect::DiscreteValueVect ( DiscreteValueType  valType,
unsigned int  length 
)
inline

initialize with a particular type and size

Definition at line 37 of file DiscreteValueVect.h.

RDKit::DiscreteValueVect::DiscreteValueVect ( const DiscreteValueVect other)

Copy constructor.

RDKit::DiscreteValueVect::DiscreteValueVect ( const std::string &  pkl)
inline

constructor from a pickle

Definition at line 52 of file DiscreteValueVect.h.

RDKit::DiscreteValueVect::DiscreteValueVect ( const char *  pkl,
const unsigned int  len 
)
inline

constructor from a pickle

Definition at line 56 of file DiscreteValueVect.h.

RDKit::DiscreteValueVect::~DiscreteValueVect ( )
inline

Definition at line 60 of file DiscreteValueVect.h.

References getVal().

Member Function Documentation

const boost::uint32_t* RDKit::DiscreteValueVect::getData ( ) const

return a pointer to our raw data storage

Referenced by size().

unsigned int RDKit::DiscreteValueVect::getLength ( ) const

returns the length

Referenced by operator[](), and size().

unsigned int RDKit::DiscreteValueVect::getNumBitsPerVal ( ) const
inline

return the number of bits used to store each value

Definition at line 87 of file DiscreteValueVect.h.

unsigned int RDKit::DiscreteValueVect::getNumInts ( ) const
inline

returns the size of our storage

Definition at line 93 of file DiscreteValueVect.h.

References RDKit::computeL1Norm(), operator&(), RDKit::operator+(), operator+=(), RDKit::operator-(), operator-=(), operator|(), and toString().

unsigned int RDKit::DiscreteValueVect::getTotalVal ( ) const

returns the sum of all the elements in the vect

Referenced by operator[]().

unsigned int RDKit::DiscreteValueVect::getVal ( unsigned int  i) const

return the value at an index

Referenced by operator[](), and ~DiscreteValueVect().

DiscreteValueType RDKit::DiscreteValueVect::getValueType ( ) const
inline

return the type of value being stored

Definition at line 90 of file DiscreteValueVect.h.

Referenced by RDGeom::UniformGrid3D::operator&().

DiscreteValueVect RDKit::DiscreteValueVect::operator& ( const DiscreteValueVect other) const

support dvv3 = dvv1&dvv2

operator& returns the minimum value for each element. e.g.: [0,1,2,0] & [0,1,1,1] -> [0,1,1,0]

Referenced by getNumInts().

DiscreteValueVect& RDKit::DiscreteValueVect::operator+= ( const DiscreteValueVect other)

Referenced by getNumInts().

DiscreteValueVect& RDKit::DiscreteValueVect::operator-= ( const DiscreteValueVect other)

Referenced by getNumInts().

int RDKit::DiscreteValueVect::operator[] ( unsigned int  idx) const
inline

support indexing using []

Definition at line 66 of file DiscreteValueVect.h.

References getLength(), getTotalVal(), getVal(), and setVal().

DiscreteValueVect RDKit::DiscreteValueVect::operator| ( const DiscreteValueVect other) const

support dvv3 = dvv1|dvv2

operator& returns the maximum value for each element. e.g.: [0,1,2,0] | [0,1,1,1] -> [0,1,2,1]

Referenced by getNumInts().

void RDKit::DiscreteValueVect::setVal ( unsigned int  i,
unsigned int  val 
)

set the value at an index

NOTE: it is an error to have val > the max value this DiscreteValueVect can accomodate

Referenced by operator[]().

unsigned int RDKit::DiscreteValueVect::size ( ) const
inline

returns the length

Definition at line 81 of file DiscreteValueVect.h.

References getData(), and getLength().

std::string RDKit::DiscreteValueVect::toString ( ) const

returns a binary string representation (pickle)

Referenced by getNumInts().


The documentation for this class was generated from the following file: