Chemical Data Processing Library C++ API - Version 1.1.1
Classes | Public Types | Public Member Functions | Static Public Attributes | List of all members
CDPL::GRAIL::FeatureInteractionScoreGridCalculator Class Reference

FeatureInteractionScoreGridCalculator. More...

#include <FeatureInteractionScoreGridCalculator.hpp>

Classes

struct  MaxScoreFunctor
 
struct  ScoreSumFunctor
 

Public Types

typedef std::shared_ptr< FeatureInteractionScoreGridCalculatorSharedPointer
 
typedef std::function< bool(const Pharm::Feature &)> FeaturePredicate
 
typedef std::function< double(const Math::Vector3D &, const Pharm::Feature &)> ScoringFunction
 
typedef std::function< double(const Math::DVector &)> ScoreCombinationFunction
 

Public Member Functions

 FeatureInteractionScoreGridCalculator ()
 
 FeatureInteractionScoreGridCalculator (const ScoringFunction &func)
 
 FeatureInteractionScoreGridCalculator (const ScoringFunction &scoring_func, const ScoreCombinationFunction &comb_func)
 
 FeatureInteractionScoreGridCalculator (const FeatureInteractionScoreGridCalculator &calc)
 
 ~FeatureInteractionScoreGridCalculator ()
 
void normalizeScores (bool normalize)
 
bool scoresNormalized () const
 
void setScoringFunction (const ScoringFunction &func)
 
const ScoringFunctiongetScoringFunction () const
 
void setScoreCombinationFunction (const ScoreCombinationFunction &func)
 
const ScoreCombinationFunctiongetScoreCombinationFunction () const
 
void setFeatureSelectionPredicate (const FeaturePredicate &pred)
 
const FeaturePredicategetFeatureSelectionPredicate () const
 
void setDistanceCutoff (double dist)
 
double getDistanceCutoff () const
 
void calculate (const Pharm::FeatureContainer &tgt_ftrs, Grid::DSpatialGrid &grid)
 
FeatureInteractionScoreGridCalculatoroperator= (const FeatureInteractionScoreGridCalculator &calc)
 

Static Public Attributes

static constexpr double DEF_DISTANCE_CUTOFF = 10.0
 

Detailed Description

FeatureInteractionScoreGridCalculator.

Member Typedef Documentation

◆ SharedPointer

◆ FeaturePredicate

◆ ScoringFunction

◆ ScoreCombinationFunction

Constructor & Destructor Documentation

◆ FeatureInteractionScoreGridCalculator() [1/4]

CDPL::GRAIL::FeatureInteractionScoreGridCalculator::FeatureInteractionScoreGridCalculator ( )

◆ FeatureInteractionScoreGridCalculator() [2/4]

CDPL::GRAIL::FeatureInteractionScoreGridCalculator::FeatureInteractionScoreGridCalculator ( const ScoringFunction func)

◆ FeatureInteractionScoreGridCalculator() [3/4]

CDPL::GRAIL::FeatureInteractionScoreGridCalculator::FeatureInteractionScoreGridCalculator ( const ScoringFunction scoring_func,
const ScoreCombinationFunction comb_func 
)

◆ FeatureInteractionScoreGridCalculator() [4/4]

CDPL::GRAIL::FeatureInteractionScoreGridCalculator::FeatureInteractionScoreGridCalculator ( const FeatureInteractionScoreGridCalculator calc)

◆ ~FeatureInteractionScoreGridCalculator()

CDPL::GRAIL::FeatureInteractionScoreGridCalculator::~FeatureInteractionScoreGridCalculator ( )

Member Function Documentation

◆ normalizeScores()

void CDPL::GRAIL::FeatureInteractionScoreGridCalculator::normalizeScores ( bool  normalize)

◆ scoresNormalized()

bool CDPL::GRAIL::FeatureInteractionScoreGridCalculator::scoresNormalized ( ) const

◆ setScoringFunction()

void CDPL::GRAIL::FeatureInteractionScoreGridCalculator::setScoringFunction ( const ScoringFunction func)

◆ getScoringFunction()

const ScoringFunction& CDPL::GRAIL::FeatureInteractionScoreGridCalculator::getScoringFunction ( ) const

◆ setScoreCombinationFunction()

void CDPL::GRAIL::FeatureInteractionScoreGridCalculator::setScoreCombinationFunction ( const ScoreCombinationFunction func)

◆ getScoreCombinationFunction()

const ScoreCombinationFunction& CDPL::GRAIL::FeatureInteractionScoreGridCalculator::getScoreCombinationFunction ( ) const

◆ setFeatureSelectionPredicate()

void CDPL::GRAIL::FeatureInteractionScoreGridCalculator::setFeatureSelectionPredicate ( const FeaturePredicate pred)

◆ getFeatureSelectionPredicate()

const FeaturePredicate& CDPL::GRAIL::FeatureInteractionScoreGridCalculator::getFeatureSelectionPredicate ( ) const

◆ setDistanceCutoff()

void CDPL::GRAIL::FeatureInteractionScoreGridCalculator::setDistanceCutoff ( double  dist)

◆ getDistanceCutoff()

double CDPL::GRAIL::FeatureInteractionScoreGridCalculator::getDistanceCutoff ( ) const

◆ calculate()

void CDPL::GRAIL::FeatureInteractionScoreGridCalculator::calculate ( const Pharm::FeatureContainer tgt_ftrs,
Grid::DSpatialGrid grid 
)

◆ operator=()

FeatureInteractionScoreGridCalculator& CDPL::GRAIL::FeatureInteractionScoreGridCalculator::operator= ( const FeatureInteractionScoreGridCalculator calc)

Member Data Documentation

◆ DEF_DISTANCE_CUTOFF

constexpr double CDPL::GRAIL::FeatureInteractionScoreGridCalculator::DEF_DISTANCE_CUTOFF = 10.0
staticconstexpr

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