#include <RGroupFingerprintScore.h>

Public Member Functions
	VarianceDataForLabel (const int &label, int numberFingerprints, std::vector< int > bitCounts)

	VarianceDataForLabel (const int &label)

	VarianceDataForLabel (const VarianceDataForLabel &other)=default

VarianceDataForLabel &	operator= (const VarianceDataForLabel &other)=delete

void	addRgroupData (RGroupData *rgroupData)

void	removeRgroupData (RGroupData *rgroupData)

double	variance () const

Public Attributes
const int	label

int	numberFingerprints

std::vector< int >	bitCounts

Detailed Description

Definition at line 20 of file RGroupFingerprintScore.h.

Constructor & Destructor Documentation

◆ VarianceDataForLabel() [1/3]

RDKit::VarianceDataForLabel::VarianceDataForLabel	(	const int &	label,
		int	numberFingerprints,
		std::vector< int >	bitCounts
	)

◆ VarianceDataForLabel() [2/3]

RDKit::VarianceDataForLabel::VarianceDataForLabel ( const int & label )

◆ VarianceDataForLabel() [3/3]

RDKit::VarianceDataForLabel::VarianceDataForLabel ( const VarianceDataForLabel & other )

default

Member Function Documentation

◆ addRgroupData()

void RDKit::VarianceDataForLabel::addRgroupData ( RGroupData * rgroupData )

◆ operator=()

VarianceDataForLabel & RDKit::VarianceDataForLabel::operator= ( const VarianceDataForLabel & other )

delete

◆ removeRgroupData()

void RDKit::VarianceDataForLabel::removeRgroupData ( RGroupData * rgroupData )

◆ variance()

double RDKit::VarianceDataForLabel::variance ( ) const

Member Data Documentation

◆ bitCounts

std::vector<int> RDKit::VarianceDataForLabel::bitCounts

Definition at line 27 of file RGroupFingerprintScore.h.

◆ label

const int RDKit::VarianceDataForLabel::label

Definition at line 22 of file RGroupFingerprintScore.h.

◆ numberFingerprints

int RDKit::VarianceDataForLabel::numberFingerprints

Definition at line 24 of file RGroupFingerprintScore.h.

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

RGroupFingerprintScore.h

Public Member Functions

Public Attributes