CDPL::Descr::NPointPharmacophoreFingerprintGenerator Class Reference

NPointPharmacophoreFingerprintGenerator. More...

#include <NPointPharmacophoreFingerprintGenerator.hpp>

Inheritance diagram for CDPL::Descr::NPointPharmacophoreFingerprintGenerator:

Public Member Functions
virtual	~NPointPharmacophoreFingerprintGenerator ()
void	setMinFeatureTupleSize (std::size_t min_size)
std::size_t	getMinFeatureTupleSize () const
void	setMaxFeatureTupleSize (std::size_t max_size)
std::size_t	getMaxFeatureTupleSize () const
void	setBinSize (double bin_size)
double	getBinSize () const
Pharm::PharmacophoreGenerator &	getPharmacophoreGenerator ()
const Pharm::PharmacophoreGenerator &	getPharmacophoreGenerator () const

Static Public Attributes
static constexpr std::size_t	DEF_MIN_FEATURE_TUPLE_SIZE = 1
static constexpr std::size_t	DEF_MAX_FEATURE_TUPLE_SIZE = 3
static constexpr double	DEF_BIN_SIZE = 0.5

Protected Member Functions
	NPointPharmacophoreFingerprintGenerator ()
	NPointPharmacophoreFingerprintGenerator (const NPointPharmacophoreFingerprintGenerator &gen)=default
void	generate (const Chem::MolecularGraph &molgraph, Util::BitSet &fp)
void	generate (const Pharm::FeatureContainer &cntnr, Util::BitSet &fp)

Detailed Description

NPointPharmacophoreFingerprintGenerator.

Since

1.2

Constructor & Destructor Documentation

~NPointPharmacophoreFingerprintGenerator()

virtual CDPL::Descr::NPointPharmacophoreFingerprintGenerator::~NPointPharmacophoreFingerprintGenerator ( )

inlinevirtual

NPointPharmacophoreFingerprintGenerator() [1/2]

CDPL::Descr::NPointPharmacophoreFingerprintGenerator::NPointPharmacophoreFingerprintGenerator ( )

protected

NPointPharmacophoreFingerprintGenerator() [2/2]

CDPL::Descr::NPointPharmacophoreFingerprintGenerator::NPointPharmacophoreFingerprintGenerator ( const NPointPharmacophoreFingerprintGenerator &  gen )

protecteddefault

Member Function Documentation

setMinFeatureTupleSize()

void CDPL::Descr::NPointPharmacophoreFingerprintGenerator::setMinFeatureTupleSize

(

std::size_t

min_size

)

getMinFeatureTupleSize()

std::size_t CDPL::Descr::NPointPharmacophoreFingerprintGenerator::getMinFeatureTupleSize

(

)

const

setMaxFeatureTupleSize()

void CDPL::Descr::NPointPharmacophoreFingerprintGenerator::setMaxFeatureTupleSize

(

std::size_t

max_size

)

getMaxFeatureTupleSize()

std::size_t CDPL::Descr::NPointPharmacophoreFingerprintGenerator::getMaxFeatureTupleSize

(

)

const

setBinSize()

void CDPL::Descr::NPointPharmacophoreFingerprintGenerator::setBinSize

(

double

bin_size

)

getBinSize()

double CDPL::Descr::NPointPharmacophoreFingerprintGenerator::getBinSize

(

)

const

getPharmacophoreGenerator() [1/2]

Pharm::PharmacophoreGenerator& CDPL::Descr::NPointPharmacophoreFingerprintGenerator::getPharmacophoreGenerator

(

)

getPharmacophoreGenerator() [2/2]

const Pharm::PharmacophoreGenerator& CDPL::Descr::NPointPharmacophoreFingerprintGenerator::getPharmacophoreGenerator

(

)

const

generate() [1/2]

void CDPL::Descr::NPointPharmacophoreFingerprintGenerator::generate ( const Chem::MolecularGraph &  molgraph, Util::BitSet &  fp  )

protected

generate() [2/2]

void CDPL::Descr::NPointPharmacophoreFingerprintGenerator::generate ( const Pharm::FeatureContainer &  cntnr, Util::BitSet &  fp  )

protected

Member Data Documentation

DEF_MIN_FEATURE_TUPLE_SIZE

constexpr std::size_t CDPL::Descr::NPointPharmacophoreFingerprintGenerator::DEF_MIN_FEATURE_TUPLE_SIZE = 1

staticconstexpr

DEF_MAX_FEATURE_TUPLE_SIZE

constexpr std::size_t CDPL::Descr::NPointPharmacophoreFingerprintGenerator::DEF_MAX_FEATURE_TUPLE_SIZE = 3

staticconstexpr

DEF_BIN_SIZE

constexpr double CDPL::Descr::NPointPharmacophoreFingerprintGenerator::DEF_BIN_SIZE = 0.5

staticconstexpr

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

• NPointPharmacophoreFingerprintGenerator.hpp