#include <FileScreeningHitCollector.hpp>

Public Types
typedef Base::DataWriter< Chem::MolecularGraph >	MolecularGraphWriter

Public Member Functions
	FileScreeningHitCollector (MolecularGraphWriter &writer)

void	setDataWriter (MolecularGraphWriter &writer)

MolecularGraphWriter &	getDataWriter () const

void	alignHitMolecule (bool align)

bool	alignHitMolecule () const

void	outputScoreProperty (bool output)

bool	outputScoreProperty () const

void	outputDBNameProperty (bool output)

bool	outputDBNameProperty () const

void	outputDBMoleculeIndexProperty (bool output)

bool	outputDBMoleculeIndexProperty () const

void	outputMoleculeConfIndexProperty (bool output)

bool	outputMoleculeConfIndexProperty () const

bool	operator() (const ScreeningProcessor::SearchHit &hit, double score)

Detailed Description

FileScreeningHitCollector.

Member Typedef Documentation

◆ MolecularGraphWriter

typedef Base::DataWriter<Chem::MolecularGraph> CDPL::Pharm::FileScreeningHitCollector::MolecularGraphWriter

Constructor & Destructor Documentation

◆ FileScreeningHitCollector()

CDPL::Pharm::FileScreeningHitCollector::FileScreeningHitCollector ( MolecularGraphWriter & writer )

Member Function Documentation

◆ setDataWriter()

void CDPL::Pharm::FileScreeningHitCollector::setDataWriter ( MolecularGraphWriter & writer )

◆ getDataWriter()

MolecularGraphWriter& CDPL::Pharm::FileScreeningHitCollector::getDataWriter ( ) const

◆ alignHitMolecule() [1/2]

void CDPL::Pharm::FileScreeningHitCollector::alignHitMolecule ( bool align )

◆ alignHitMolecule() [2/2]

bool CDPL::Pharm::FileScreeningHitCollector::alignHitMolecule ( ) const

◆ outputScoreProperty() [1/2]

void CDPL::Pharm::FileScreeningHitCollector::outputScoreProperty ( bool output )

◆ outputScoreProperty() [2/2]

bool CDPL::Pharm::FileScreeningHitCollector::outputScoreProperty ( ) const

◆ outputDBNameProperty() [1/2]

void CDPL::Pharm::FileScreeningHitCollector::outputDBNameProperty ( bool output )

◆ outputDBNameProperty() [2/2]

bool CDPL::Pharm::FileScreeningHitCollector::outputDBNameProperty ( ) const

◆ outputDBMoleculeIndexProperty() [1/2]

void CDPL::Pharm::FileScreeningHitCollector::outputDBMoleculeIndexProperty ( bool output )

◆ outputDBMoleculeIndexProperty() [2/2]

bool CDPL::Pharm::FileScreeningHitCollector::outputDBMoleculeIndexProperty ( ) const

◆ outputMoleculeConfIndexProperty() [1/2]

void CDPL::Pharm::FileScreeningHitCollector::outputMoleculeConfIndexProperty ( bool output )

◆ outputMoleculeConfIndexProperty() [2/2]

bool CDPL::Pharm::FileScreeningHitCollector::outputMoleculeConfIndexProperty ( ) const

◆ operator()()

bool CDPL::Pharm::FileScreeningHitCollector::operator()	(	const ScreeningProcessor::SearchHit &	hit,
		double	score
	)

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

FileScreeningHitCollector.hpp

Public Types

Public Member Functions