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< std::uint32_t >	DATA_SPTR

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

Detailed Description

a class for efficiently storing vectors of discrete values

Definition at line 24 of file DiscreteValueVect.h.

Member Typedef Documentation

DATA_SPTR

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

Definition at line 26 of file DiscreteValueVect.h.

Member Enumeration Documentation

DiscreteValueType

enum RDKit::DiscreteValueVect::DiscreteValueType

used to define the possible range of the values

Enumerator
ONEBITVALUE
TWOBITVALUE
FOURBITVALUE
EIGHTBITVALUE
SIXTEENBITVALUE

Definition at line 29 of file DiscreteValueVect.h.

Constructor & Destructor Documentation

DiscreteValueVect() [1/4]

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

inline

initialize with a particular type and size

Definition at line 38 of file DiscreteValueVect.h.

References RDKit::BITS_PER_INT.

DiscreteValueVect() [2/4]

RDKit::DiscreteValueVect::DiscreteValueVect

(

const DiscreteValueVect &

other

)

Copy constructor.

DiscreteValueVect() [3/4]

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

inline

constructor from a pickle

Definition at line 55 of file DiscreteValueVect.h.

DiscreteValueVect() [4/4]

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

inline

constructor from a pickle

Definition at line 59 of file DiscreteValueVect.h.

~DiscreteValueVect()

RDKit::DiscreteValueVect::~DiscreteValueVect ( )

default

Member Function Documentation

getData()

const std::uint32_t * RDKit::DiscreteValueVect::getData

(

)

const

return a pointer to our raw data storage

getLength()

unsigned int RDKit::DiscreteValueVect::getLength

(

)

const

returns the length

getNumBitsPerVal()

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

inline

return the number of bits used to store each value

Definition at line 90 of file DiscreteValueVect.h.

getNumInts()

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

inline

returns the size of our storage

Definition at line 96 of file DiscreteValueVect.h.

getTotalVal()

unsigned int RDKit::DiscreteValueVect::getTotalVal

(

)

const

returns the sum of all the elements in the vect

getVal()

unsigned int RDKit::DiscreteValueVect::getVal

(

unsigned int

i

)

const

return the value at an index

getValueType()

DiscreteValueType RDKit::DiscreteValueVect::getValueType ( ) const

inline

return the type of value being stored

Definition at line 93 of file DiscreteValueVect.h.

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]

operator+=()

DiscreteValueVect & RDKit::DiscreteValueVect::operator+=

(

const DiscreteValueVect &

other

)

operator-=()

DiscreteValueVect & RDKit::DiscreteValueVect::operator-=

(

const DiscreteValueVect &

other

)

operator=()

DiscreteValueVect & RDKit::DiscreteValueVect::operator=

(

const DiscreteValueVect &

other

)

operator[]()

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

inline

support indexing using []

Definition at line 69 of file DiscreteValueVect.h.

operator|()

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]

setVal()

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 accommodate

size()

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

inline

returns the length

Definition at line 84 of file DiscreteValueVect.h.

toString()

std::string RDKit::DiscreteValueVect::toString

(

)

const

returns a binary string representation (pickle)

---

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

• DiscreteValueVect.h