CDPL::Pharm::IonicInteractionScore Class Reference

IonicInteractionScore. More...

#include <IonicInteractionScore.hpp>

Inheritance diagram for CDPL::Pharm::IonicInteractionScore:

Public Types
typedef std::shared_ptr< IonicInteractionScore >	SharedPointer
	A reference-counted smart pointer [SHPTR] for dynamically allocated IonicInteractionScore instances. More...
Public Types inherited from CDPL::Pharm::FeatureDistanceScore
typedef std::shared_ptr< FeatureDistanceScore >	SharedPointer
	A reference-counted smart pointer [SHPTR] for dynamically allocated FeatureDistanceScore instances. More...
typedef std::function< double(double)>	DistanceScoringFunction
Public Types inherited from CDPL::Pharm::FeatureInteractionScore
typedef std::shared_ptr< FeatureInteractionScore >	SharedPointer
	A reference-counted smart pointer [SHPTR] for dynamically allocated FeatureInteractionScore instances. More...

Public Member Functions
	IonicInteractionScore (double min_dist=DEF_MIN_DISTANCE, double max_dist=DEF_MAX_DISTANCE)
	Constructs a IonicInteractionScore functor with a minimum ionic-feature pair distance of min_dist and a maximum distance of max_dist. More...
Public Member Functions inherited from CDPL::Pharm::FeatureDistanceScore
	FeatureDistanceScore (double min_dist, double max_dist)
	Constructs a FeatureDistanceScore functor with a minimum feature distance of min_dist and maximum distance of max_dist. More...
double	getMinDistance () const
double	getMaxDistance () const
void	setDistanceScoringFunction (const DistanceScoringFunction &func)
double	operator() (const Feature &ftr1, const Feature &ftr2) const
double	operator() (const Math::Vector3D &ftr1_pos, const Feature &ftr2) const
Public Member Functions inherited from CDPL::Pharm::FeatureInteractionScore
virtual	~FeatureInteractionScore ()
	Virtual destructor. More...

Static Public Attributes
static constexpr double	DEF_MIN_DISTANCE = 1.5
static constexpr double	DEF_MAX_DISTANCE = 5.5

Additional Inherited Members
Protected Member Functions inherited from CDPL::Pharm::FeatureInteractionScore
	FeatureInteractionScore ()

Detailed Description

IonicInteractionScore.

Member Typedef Documentation

SharedPointer

typedef std::shared_ptr<IonicInteractionScore> CDPL::Pharm::IonicInteractionScore::SharedPointer

A reference-counted smart pointer [SHPTR] for dynamically allocated IonicInteractionScore instances.

Constructor & Destructor Documentation

IonicInteractionScore()

CDPL::Pharm::IonicInteractionScore::IonicInteractionScore ( double  min_dist = DEF_MIN_DISTANCE, double  max_dist = DEF_MAX_DISTANCE  )

inline

Constructs a IonicInteractionScore functor with a minimum ionic-feature pair distance of min_dist and a maximum distance of max_dist.

Parameters

min_dist	The minimum allowed feature pair distance.
max_dist	The maximum allowed feature pair distance.

Member Data Documentation

DEF_MIN_DISTANCE

constexpr double CDPL::Pharm::IonicInteractionScore::DEF_MIN_DISTANCE = 1.5

staticconstexpr

DEF_MAX_DISTANCE

constexpr double CDPL::Pharm::IonicInteractionScore::DEF_MAX_DISTANCE = 5.5

staticconstexpr

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

• IonicInteractionScore.hpp