CDPL::Pharm::ParallelPiPiInteractionScore Class Reference

ParallelPiPiInteractionScore. More...

#include <ParallelPiPiInteractionScore.hpp>

Inheritance diagram for CDPL::Pharm::ParallelPiPiInteractionScore:

Public Types
typedef std::shared_ptr< ParallelPiPiInteractionScore >	SharedPointer
	A reference-counted smart pointer [SHPTR] for dynamically allocated ParallelPiPiInteractionScore instances. More...
typedef std::function< double(double)>	DistanceScoringFunction
typedef std::function< double(double)>	AngleScoringFunction
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
	ParallelPiPiInteractionScore (double min_v_dist=DEF_MIN_V_DISTANCE, double max_v_dist=DEF_MAX_V_DISTANCE, double max_h_dist=DEF_MAX_H_DISTANCE, double max_ang=DEF_MAX_ANGLE)
	Constructs a ParallelPiPiInteractionScore functor with the specified constraints. More...
double	getMinVDistance () const
double	getMaxVDistance () const
double	getMaxHDistance () const
double	getMaxAngle () const
void	setDistanceScoringFunction (const DistanceScoringFunction &func)
void	setAngleScoringFunction (const AngleScoringFunction &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_MAX_H_DISTANCE = 2.8
static constexpr double	DEF_MIN_V_DISTANCE = 3.0
static constexpr double	DEF_MAX_V_DISTANCE = 5.5
static constexpr double	DEF_MAX_ANGLE = 20.0

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

Detailed Description

ParallelPiPiInteractionScore.

Member Typedef Documentation

SharedPointer

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

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

DistanceScoringFunction

typedef std::function<double(double)> CDPL::Pharm::ParallelPiPiInteractionScore::DistanceScoringFunction

AngleScoringFunction

typedef std::function<double(double)> CDPL::Pharm::ParallelPiPiInteractionScore::AngleScoringFunction

Constructor & Destructor Documentation

ParallelPiPiInteractionScore()

CDPL::Pharm::ParallelPiPiInteractionScore::ParallelPiPiInteractionScore	(	double	min_v_dist = DEF_MIN_V_DISTANCE,
		double	max_v_dist = DEF_MAX_V_DISTANCE,
		double	max_h_dist = DEF_MAX_H_DISTANCE,
		double	max_ang = DEF_MAX_ANGLE
	)

Constructs a ParallelPiPiInteractionScore functor with the specified constraints.

Parameters

min_v_dist	The minimum allowed distance of the two feature-positions orthogonal to the ring-planes.
max_v_dist	The maximum allowed distance of the two feature-positions orthogonal to the ring-planes.
max_h_dist	The maximum allowed distance of the feature-position along the their ring-planes.
max_ang	The maximum allowed angle deviation from 0° of the two ring-plane orientation vectors.

Member Function Documentation

getMinVDistance()

double CDPL::Pharm::ParallelPiPiInteractionScore::getMinVDistance

(

)

const

getMaxVDistance()

double CDPL::Pharm::ParallelPiPiInteractionScore::getMaxVDistance

(

)

const

getMaxHDistance()

double CDPL::Pharm::ParallelPiPiInteractionScore::getMaxHDistance

(

)

const

getMaxAngle()

double CDPL::Pharm::ParallelPiPiInteractionScore::getMaxAngle

(

)

const

setDistanceScoringFunction()

void CDPL::Pharm::ParallelPiPiInteractionScore::setDistanceScoringFunction

(

const DistanceScoringFunction &

func

)

setAngleScoringFunction()

void CDPL::Pharm::ParallelPiPiInteractionScore::setAngleScoringFunction

(

const AngleScoringFunction &

func

)

operator()() [1/2]

double CDPL::Pharm::ParallelPiPiInteractionScore::operator() ( const Feature &  ftr1, const Feature &  ftr2  ) const

virtual

Implements CDPL::Pharm::FeatureInteractionScore.

operator()() [2/2]

double CDPL::Pharm::ParallelPiPiInteractionScore::operator() ( const Math::Vector3D &  ftr1_pos, const Feature &  ftr2  ) const

virtual

Implements CDPL::Pharm::FeatureInteractionScore.

Member Data Documentation

DEF_MAX_H_DISTANCE

constexpr double CDPL::Pharm::ParallelPiPiInteractionScore::DEF_MAX_H_DISTANCE = 2.8

staticconstexpr

DEF_MIN_V_DISTANCE

constexpr double CDPL::Pharm::ParallelPiPiInteractionScore::DEF_MIN_V_DISTANCE = 3.0

staticconstexpr

DEF_MAX_V_DISTANCE

constexpr double CDPL::Pharm::ParallelPiPiInteractionScore::DEF_MAX_V_DISTANCE = 5.5

staticconstexpr

DEF_MAX_ANGLE

constexpr double CDPL::Pharm::ParallelPiPiInteractionScore::DEF_MAX_ANGLE = 20.0

staticconstexpr

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

• ParallelPiPiInteractionScore.hpp