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

#include <ScreeningProcessor.hpp>

Public Member Functions

 SearchHit (const ScreeningProcessor &hit_prov, const FeatureContainer &qry_pharm, const FeatureContainer &hit_pharm, const Chem::Molecule &mol, const Math::Matrix4D &xform, std::size_t pharm_idx, std::size_t mol_idx, std::size_t conf_idx)
 
const ScreeningProcessorgetHitProvider () const
 
const FeatureContainergetQueryPharmacophore () const
 
const FeatureContainergetHitPharmacophore () const
 
const Chem::MoleculegetHitMolecule () const
 
const Math::Matrix4DgetHitAlignmentTransform () const
 
std::size_t getHitPharmacophoreIndex () const
 
std::size_t getHitMoleculeIndex () const
 
std::size_t getHitConformationIndex () const
 

Constructor & Destructor Documentation

◆ SearchHit()

CDPL::Pharm::ScreeningProcessor::SearchHit::SearchHit ( const ScreeningProcessor hit_prov,
const FeatureContainer qry_pharm,
const FeatureContainer hit_pharm,
const Chem::Molecule mol,
const Math::Matrix4D xform,
std::size_t  pharm_idx,
std::size_t  mol_idx,
std::size_t  conf_idx 
)

Member Function Documentation

◆ getHitProvider()

const ScreeningProcessor& CDPL::Pharm::ScreeningProcessor::SearchHit::getHitProvider ( ) const

◆ getQueryPharmacophore()

const FeatureContainer& CDPL::Pharm::ScreeningProcessor::SearchHit::getQueryPharmacophore ( ) const

◆ getHitPharmacophore()

const FeatureContainer& CDPL::Pharm::ScreeningProcessor::SearchHit::getHitPharmacophore ( ) const

◆ getHitMolecule()

const Chem::Molecule& CDPL::Pharm::ScreeningProcessor::SearchHit::getHitMolecule ( ) const

◆ getHitAlignmentTransform()

const Math::Matrix4D& CDPL::Pharm::ScreeningProcessor::SearchHit::getHitAlignmentTransform ( ) const

◆ getHitPharmacophoreIndex()

std::size_t CDPL::Pharm::ScreeningProcessor::SearchHit::getHitPharmacophoreIndex ( ) const

◆ getHitMoleculeIndex()

std::size_t CDPL::Pharm::ScreeningProcessor::SearchHit::getHitMoleculeIndex ( ) const

◆ getHitConformationIndex()

std::size_t CDPL::Pharm::ScreeningProcessor::SearchHit::getHitConformationIndex ( ) const

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