Chemical Data Processing Library C++ API - Version 1.1.1
Public Types | Public Member Functions | List of all members
CDPL::Pharm::FileScreeningHitCollector Class Reference

FileScreeningHitCollector. More...

#include <FileScreeningHitCollector.hpp>

Public Types

typedef Base::DataWriter< Chem::MolecularGraphMolecularGraphWriter
 

Public Member Functions

 FileScreeningHitCollector (MolecularGraphWriter &writer)
 
void setDataWriter (MolecularGraphWriter &writer)
 
MolecularGraphWritergetDataWriter () 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

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: