RDKit: RDKit::DiscreteValueVect Class Reference

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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...
DiscreteValueVect & | operator+= (const DiscreteValueVect &other)
DiscreteValueVect & | operator-= (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

enum RDKit::DiscreteValueVect::DiscreteValueType

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.

## Member Function Documentation

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

return a pointer to our raw data storage

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

returns the length

Referenced by 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.

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

returns the sum of all the elements in the vect

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

return the value at an index

Referenced by operator[]().

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]

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

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

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

support indexing using []

Definition at line 66 of file DiscreteValueVect.h.

References getVal().

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]

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

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

returns the length

Definition at line 81 of file DiscreteValueVect.h.

References getLength().

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