RDKit: RDNumeric::SymmMatrix< TYPE > Class Template Reference

| RDKit Open-source cheminformatics and machine learning.

Loading...
Searching...
No Matches
Public Types | Public Member Functions | Protected Member Functions | Protected Attributes | List of all members
RDNumeric::SymmMatrix< TYPE > Class Template Reference

A symmetric matrix class. More...

`#include <SymmMatrix.h>`

## Public Types
typedef boost::shared_array< TYPE > | DATA_SPTR

## Public Member Functions
| SymmMatrix (unsigned int N)
| SymmMatrix (unsigned int N, TYPE val)
| SymmMatrix (unsigned int N, DATA_SPTR data)
| SymmMatrix (const SymmMatrix< TYPE > &other)
| ~SymmMatrix ()=default
unsigned int | numRows () const
| returns the number of rows
unsigned int | numCols () const
| returns the number of columns
unsigned int | getDataSize () const
void | setToIdentity ()
TYPE | getVal (unsigned int i, unsigned int j) const
void | setVal (unsigned int i, unsigned int j, TYPE val)
void | getRow (unsigned int i, Vector< TYPE > &row)
void | getCol (unsigned int i, Vector< TYPE > &col)
TYPE * | getData ()
| returns a pointer to our data array
const TYPE * | getData () const
| returns a const pointer to our data array
SymmMatrix< TYPE > & | operator*= (TYPE scale)
SymmMatrix< TYPE > & | operator/= (TYPE scale)
SymmMatrix< TYPE > & | operator+= (const SymmMatrix< TYPE > &other)
SymmMatrix< TYPE > & | operator-= (const SymmMatrix< TYPE > &other)
SymmMatrix< TYPE > & | operator*= (const SymmMatrix< TYPE > &B)
| in-place matrix multiplication
SymmMatrix< TYPE > & | transpose (SymmMatrix< TYPE > &transpose) const
SymmMatrix< TYPE > & | transposeInplace ()

## Protected Member Functions
| SymmMatrix ()

## Protected Attributes
unsigned int | d_size {0}
unsigned int | d_dataSize {0}
DATA_SPTR | d_data

## Detailed Description

template<class TYPE>
class RDNumeric::SymmMatrix< TYPE >

A symmetric matrix class.

The data is stored as the lower triangle, so A[i,j] = data[i*(i+1) + j] when i >= j and A[i,j] = data[j*(j+1) + i] when i < j

Definition at line 30 of file SymmMatrix.h.

## Member Typedef Documentation

## ◆ DATA_SPTR

template<class TYPE>

typedef boost::shared_array<TYPE> RDNumeric::SymmMatrix< TYPE >::DATA_SPTR

Definition at line 32 of file SymmMatrix.h.

## Constructor & Destructor Documentation

## ◆ SymmMatrix() [1/5]

template<class TYPE>

RDNumeric::SymmMatrix< TYPE >::SymmMatrix | ( | unsigned int | N | ) |
| inlineexplicit

Definition at line 34 of file SymmMatrix.h.

## ◆ SymmMatrix() [2/5]

template<class TYPE>

RDNumeric::SymmMatrix< TYPE >::SymmMatrix | ( | unsigned int | N,
|  | TYPE | val )
| inline

Definition at line 40 of file SymmMatrix.h.

## ◆ SymmMatrix() [3/5]

template<class TYPE>

RDNumeric::SymmMatrix< TYPE >::SymmMatrix | ( | unsigned int | N,
|  | DATA_SPTR | data )
| inline

Definition at line 50 of file SymmMatrix.h.

## ◆ SymmMatrix() [4/5]

template<class TYPE>

RDNumeric::SymmMatrix< TYPE >::SymmMatrix | ( | const SymmMatrix< TYPE > & | other | ) |
| inline

Definition at line 55 of file SymmMatrix.h.

## ◆ ~SymmMatrix()

template<class TYPE>

RDNumeric::SymmMatrix< TYPE >::~SymmMatrix | ( |  | ) |
| default

## ◆ SymmMatrix() [5/5]

template<class TYPE>

RDNumeric::SymmMatrix< TYPE >::SymmMatrix | ( |  | ) |
| inlineprotected

Definition at line 236 of file SymmMatrix.h.

## Member Function Documentation

## ◆ getCol()

template<class TYPE>

void RDNumeric::SymmMatrix< TYPE >::getCol | ( | unsigned int | i,
|  | Vector< TYPE > & | col )
| inline

Definition at line 122 of file SymmMatrix.h.

## ◆ getData() [1/2]

template<class TYPE>

TYPE * RDNumeric::SymmMatrix< TYPE >::getData | ( |  | ) |
| inline

returns a pointer to our data array

Definition at line 138 of file SymmMatrix.h.

Referenced by RDNumeric::multiply(), RDNumeric::multiply(), RDNumeric::SymmMatrix< double >::operator*=(), RDNumeric::SymmMatrix< double >::operator+=(), RDNumeric::SymmMatrix< double >::operator-=(), and RDNumeric::SymmMatrix< double >::SymmMatrix().

## ◆ getData() [2/2]

template<class TYPE>

const TYPE * RDNumeric::SymmMatrix< TYPE >::getData | ( |  | ) | const
| inline

returns a const pointer to our data array

Definition at line 141 of file SymmMatrix.h.

## ◆ getDataSize()

template<class TYPE>

unsigned int RDNumeric::SymmMatrix< TYPE >::getDataSize | ( |  | ) | const
| inline

Definition at line 73 of file SymmMatrix.h.

## ◆ getRow()

template<class TYPE>

void RDNumeric::SymmMatrix< TYPE >::getRow | ( | unsigned int | i,
|  | Vector< TYPE > & | row )
| inline

Definition at line 107 of file SymmMatrix.h.

## ◆ getVal()

template<class TYPE>

TYPE RDNumeric::SymmMatrix< TYPE >::getVal | ( | unsigned int | i,
|  | unsigned int | j ) const
| inline

Definition at line 83 of file SymmMatrix.h.

Referenced by operator<<().

## ◆ numCols()

template<class TYPE>

unsigned int RDNumeric::SymmMatrix< TYPE >::numCols | ( |  | ) | const
| inline

returns the number of columns

Definition at line 71 of file SymmMatrix.h.

Referenced by operator<<().

## ◆ numRows()

template<class TYPE>

unsigned int RDNumeric::SymmMatrix< TYPE >::numRows | ( |  | ) | const
| inline

returns the number of rows

Definition at line 68 of file SymmMatrix.h.

Referenced by RDNumeric::multiply(), RDNumeric::multiply(), RDNumeric::SymmMatrix< double >::operator*=(), RDNumeric::SymmMatrix< double >::operator+=(), RDNumeric::SymmMatrix< double >::operator-=(), and operator<<().

## ◆ operator*=() [1/2]

template<class TYPE>

SymmMatrix< TYPE > & RDNumeric::SymmMatrix< TYPE >::operator*= | ( | const SymmMatrix< TYPE > & | B | ) |
| inline

in-place matrix multiplication

Definition at line 182 of file SymmMatrix.h.

## ◆ operator*=() [2/2]

template<class TYPE>

SymmMatrix< TYPE > & RDNumeric::SymmMatrix< TYPE >::operator*= | ( | TYPE | scale | ) |
| inline

Definition at line 143 of file SymmMatrix.h.

## ◆ operator+=()

template<class TYPE>

SymmMatrix< TYPE > & RDNumeric::SymmMatrix< TYPE >::operator+= | ( | const SymmMatrix< TYPE > & | other | ) |
| inline

Definition at line 159 of file SymmMatrix.h.

## ◆ operator-=()

template<class TYPE>

SymmMatrix< TYPE > & RDNumeric::SymmMatrix< TYPE >::operator-= | ( | const SymmMatrix< TYPE > & | other | ) |
| inline

Definition at line 170 of file SymmMatrix.h.

## ◆ operator/=()

template<class TYPE>

SymmMatrix< TYPE > & RDNumeric::SymmMatrix< TYPE >::operator/= | ( | TYPE | scale | ) |
| inline

Definition at line 151 of file SymmMatrix.h.

## ◆ setToIdentity()

template<class TYPE>

void RDNumeric::SymmMatrix< TYPE >::setToIdentity | ( |  | ) |
| inline

Definition at line 75 of file SymmMatrix.h.

## ◆ setVal()

template<class TYPE>

void RDNumeric::SymmMatrix< TYPE >::setVal | ( | unsigned int | i,
|  | unsigned int | j,
|  | TYPE | val )
| inline

Definition at line 95 of file SymmMatrix.h.

## ◆ transpose()

template<class TYPE>

SymmMatrix< TYPE > & RDNumeric::SymmMatrix< TYPE >::transpose | ( | SymmMatrix< TYPE > & | transpose | ) | const
| inline

Definition at line 219 of file SymmMatrix.h.

## ◆ transposeInplace()

template<class TYPE>

SymmMatrix< TYPE > & RDNumeric::SymmMatrix< TYPE >::transposeInplace | ( |  | ) |
| inline

Definition at line 230 of file SymmMatrix.h.

## Member Data Documentation

## ◆ d_data

template<class TYPE>

DATA_SPTR RDNumeric::SymmMatrix< TYPE >::d_data
| protected

Definition at line 239 of file SymmMatrix.h.

## ◆ d_dataSize

template<class TYPE>

unsigned int RDNumeric::SymmMatrix< TYPE >::d_dataSize {0}
| protected

Definition at line 238 of file SymmMatrix.h.

## ◆ d_size

template<class TYPE>

unsigned int RDNumeric::SymmMatrix< TYPE >::d_size {0}
| protected

Definition at line 237 of file SymmMatrix.h.

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

- SymmMatrix.h