CDPL::Descr::NPoint2DPharmacophoreFingerprintGenerator Class Reference

NPoint2DPharmacophoreFingerprintGenerator. More...

#include <NPoint2DPharmacophoreFingerprintGenerator.hpp>

Inheritance diagram for CDPL::Descr::NPoint2DPharmacophoreFingerprintGenerator:

Public Types
enum	FeatureDistanceType {   MIN_PATH_LENGTH ,   MAX_PATH_LENGTH ,   AVG_PATH_LENGTH }
typedef std::shared_ptr< NPoint2DPharmacophoreFingerprintGenerator >	SharedPointer

Public Member Functions
	NPoint2DPharmacophoreFingerprintGenerator ()
	NPoint2DPharmacophoreFingerprintGenerator (const NPoint2DPharmacophoreFingerprintGenerator &gen)=default
	NPoint2DPharmacophoreFingerprintGenerator (const Chem::MolecularGraph &molgraph, Util::BitSet &fp)
void	setFeatureDistanceType (FeatureDistanceType dist_type)
FeatureDistanceType	getFeatureDistanceType () const
void	generate (const Chem::MolecularGraph &molgraph, Util::BitSet &fp)
Public Member Functions inherited from CDPL::Descr::NPointPharmacophoreFingerprintGenerator
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 FeatureDistanceType	DEF_FEATURE_DISTANCE_TYPE = MIN_PATH_LENGTH
Static Public Attributes inherited from CDPL::Descr::NPointPharmacophoreFingerprintGenerator
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

Additional Inherited Members
Protected Member Functions inherited from CDPL::Descr::NPointPharmacophoreFingerprintGenerator
	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

NPoint2DPharmacophoreFingerprintGenerator.

Since

1.2

Member Typedef Documentation

SharedPointer

typedef std::shared_ptr<NPoint2DPharmacophoreFingerprintGenerator> CDPL::Descr::NPoint2DPharmacophoreFingerprintGenerator::SharedPointer

Member Enumeration Documentation

FeatureDistanceType

enum CDPL::Descr::NPoint2DPharmacophoreFingerprintGenerator::FeatureDistanceType

Enumerator
MIN_PATH_LENGTH
MAX_PATH_LENGTH
AVG_PATH_LENGTH

Constructor & Destructor Documentation

NPoint2DPharmacophoreFingerprintGenerator() [1/3]

CDPL::Descr::NPoint2DPharmacophoreFingerprintGenerator::NPoint2DPharmacophoreFingerprintGenerator

(

)

NPoint2DPharmacophoreFingerprintGenerator() [2/3]

CDPL::Descr::NPoint2DPharmacophoreFingerprintGenerator::NPoint2DPharmacophoreFingerprintGenerator ( const NPoint2DPharmacophoreFingerprintGenerator &  gen )

default

NPoint2DPharmacophoreFingerprintGenerator() [3/3]

CDPL::Descr::NPoint2DPharmacophoreFingerprintGenerator::NPoint2DPharmacophoreFingerprintGenerator	(	const Chem::MolecularGraph &	molgraph,
		Util::BitSet &	fp
	)

Member Function Documentation

setFeatureDistanceType()

void CDPL::Descr::NPoint2DPharmacophoreFingerprintGenerator::setFeatureDistanceType

(

FeatureDistanceType

dist_type

)

getFeatureDistanceType()

FeatureDistanceType CDPL::Descr::NPoint2DPharmacophoreFingerprintGenerator::getFeatureDistanceType

(

)

const

generate()

void CDPL::Descr::NPoint2DPharmacophoreFingerprintGenerator::generate	(	const Chem::MolecularGraph &	molgraph,
		Util::BitSet &	fp
	)

Member Data Documentation

DEF_FEATURE_DISTANCE_TYPE

constexpr FeatureDistanceType CDPL::Descr::NPoint2DPharmacophoreFingerprintGenerator::DEF_FEATURE_DISTANCE_TYPE = MIN_PATH_LENGTH

staticconstexpr

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

• NPoint2DPharmacophoreFingerprintGenerator.hpp