CDPL::Pharm::FeatureGeometryMatchFunctor Class Reference

FeatureGeometryMatchFunctor. More...

#include <FeatureGeometryMatchFunctor.hpp>

Public Member Functions
	FeatureGeometryMatchFunctor (double max_hba_int_dir_angle=DEF_MAX_HBA_INTERACTION_DIR_ANGLE, double max_hba_orient_dev=DEF_MAX_HBA_ORIENTATION_DEVIATION, double max_hbd_int_dir_dev=DEF_MAX_HBD_INTERACTION_DIR_DEVIATION, double max_xba_int_dir_dev=DEF_MAX_XBA_INTERACTION_DIR_DEVIATION, double max_xbd_int_dir_dev=DEF_MAX_XBD_INTERACTION_DIR_DEVIATION, double max_ar_orient_dev=DEF_MAX_AR_ORIENTATION_DEVIATION)
double	getMaxHBAInteractionDirAngle () const
void	setMaxHBAInteractionDirAngle (double angle)
double	getMaxHBAOrientationDeviation () const
void	setMaxHBAOrientationDeviation (double angle)
double	getMaxHBDInteractionDirDeviation () const
void	setMaxHBDInteractionDirDeviation (double angle)
double	getMaxXBDInteractionDirDeviation () const
void	setMaxXBDInteractionDirDeviation (double angle)
double	getMaxXBAInteractionDirDeviation () const
void	setMaxXBAInteractionDirDeviation (double angle)
double	getMaxAROrientationDeviation () const
void	setMaxAROrientationDeviation (double angle)
double	operator() (const Feature &ftr1, const Feature &ftr2) const
	Calculates a score reflecting the goodness of the spatial feature orientation match. More...
double	operator() (const Feature &ftr1, const Feature &ftr2, const Math::Matrix4D &xform) const
	Calculates a score reflecting the goodness of the spatial feature orientation match. More...

Static Public Attributes
static constexpr double	DEF_MAX_HBA_INTERACTION_DIR_ANGLE = 85.0
static constexpr double	DEF_MAX_HBA_ORIENTATION_DEVIATION = 45.0
static constexpr double	DEF_MAX_HBD_INTERACTION_DIR_DEVIATION = 45.0
static constexpr double	DEF_MAX_XBA_INTERACTION_DIR_DEVIATION = 45.0
static constexpr double	DEF_MAX_XBD_INTERACTION_DIR_DEVIATION = 45.0
static constexpr double	DEF_MAX_AR_ORIENTATION_DEVIATION = 45.0

Detailed Description

FeatureGeometryMatchFunctor.

Constructor & Destructor Documentation

FeatureGeometryMatchFunctor()

CDPL::Pharm::FeatureGeometryMatchFunctor::FeatureGeometryMatchFunctor	(	double	max_hba_int_dir_angle = DEF_MAX_HBA_INTERACTION_DIR_ANGLE,
		double	max_hba_orient_dev = DEF_MAX_HBA_ORIENTATION_DEVIATION,
		double	max_hbd_int_dir_dev = DEF_MAX_HBD_INTERACTION_DIR_DEVIATION,
		double	max_xba_int_dir_dev = DEF_MAX_XBA_INTERACTION_DIR_DEVIATION,
		double	max_xbd_int_dir_dev = DEF_MAX_XBD_INTERACTION_DIR_DEVIATION,
		double	max_ar_orient_dev = DEF_MAX_AR_ORIENTATION_DEVIATION
	)

Member Function Documentation

getMaxHBAInteractionDirAngle()

double CDPL::Pharm::FeatureGeometryMatchFunctor::getMaxHBAInteractionDirAngle

(

)

const

setMaxHBAInteractionDirAngle()

void CDPL::Pharm::FeatureGeometryMatchFunctor::setMaxHBAInteractionDirAngle

(

double

angle

)

getMaxHBAOrientationDeviation()

double CDPL::Pharm::FeatureGeometryMatchFunctor::getMaxHBAOrientationDeviation

(

)

const

setMaxHBAOrientationDeviation()

void CDPL::Pharm::FeatureGeometryMatchFunctor::setMaxHBAOrientationDeviation

(

double

angle

)

getMaxHBDInteractionDirDeviation()

double CDPL::Pharm::FeatureGeometryMatchFunctor::getMaxHBDInteractionDirDeviation

(

)

const

setMaxHBDInteractionDirDeviation()

void CDPL::Pharm::FeatureGeometryMatchFunctor::setMaxHBDInteractionDirDeviation

(

double

angle

)

getMaxXBDInteractionDirDeviation()

double CDPL::Pharm::FeatureGeometryMatchFunctor::getMaxXBDInteractionDirDeviation

(

)

const

setMaxXBDInteractionDirDeviation()

void CDPL::Pharm::FeatureGeometryMatchFunctor::setMaxXBDInteractionDirDeviation

(

double

angle

)

getMaxXBAInteractionDirDeviation()

double CDPL::Pharm::FeatureGeometryMatchFunctor::getMaxXBAInteractionDirDeviation

(

)

const

setMaxXBAInteractionDirDeviation()

void CDPL::Pharm::FeatureGeometryMatchFunctor::setMaxXBAInteractionDirDeviation

(

double

angle

)

getMaxAROrientationDeviation()

double CDPL::Pharm::FeatureGeometryMatchFunctor::getMaxAROrientationDeviation

(

)

const

setMaxAROrientationDeviation()

void CDPL::Pharm::FeatureGeometryMatchFunctor::setMaxAROrientationDeviation

(

double

angle

)

operator()() [1/2]

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

Calculates a score reflecting the goodness of the spatial feature orientation match.

Parameters

ftr1	The first feature.
ftr2	The second feature.

Returns

A score from 0 (=spatial deviation outside the allowed range) and 1 (optimum match) describing the goodness of the spatial orientation match of the two features.

operator()() [2/2]

double CDPL::Pharm::FeatureGeometryMatchFunctor::operator()	(	const Feature &	ftr1,
		const Feature &	ftr2,
		const Math::Matrix4D &	xform
	)		const

Calculates a score reflecting the goodness of the spatial feature orientation match.

Parameters

ftr1	The first feature.
ftr2	The second feature.
xform	The transformation to apply to the spatial orientation of the second feature.

Returns

A score from 0 (=spatial deviation outside the allowed range) and 1 (optimum match) describing the goodness of the spatial orientation match of the two features.

Member Data Documentation

DEF_MAX_HBA_INTERACTION_DIR_ANGLE

constexpr double CDPL::Pharm::FeatureGeometryMatchFunctor::DEF_MAX_HBA_INTERACTION_DIR_ANGLE = 85.0

staticconstexpr

DEF_MAX_HBA_ORIENTATION_DEVIATION

constexpr double CDPL::Pharm::FeatureGeometryMatchFunctor::DEF_MAX_HBA_ORIENTATION_DEVIATION = 45.0

staticconstexpr

DEF_MAX_HBD_INTERACTION_DIR_DEVIATION

constexpr double CDPL::Pharm::FeatureGeometryMatchFunctor::DEF_MAX_HBD_INTERACTION_DIR_DEVIATION = 45.0

staticconstexpr

DEF_MAX_XBA_INTERACTION_DIR_DEVIATION

constexpr double CDPL::Pharm::FeatureGeometryMatchFunctor::DEF_MAX_XBA_INTERACTION_DIR_DEVIATION = 45.0

staticconstexpr

DEF_MAX_XBD_INTERACTION_DIR_DEVIATION

constexpr double CDPL::Pharm::FeatureGeometryMatchFunctor::DEF_MAX_XBD_INTERACTION_DIR_DEVIATION = 45.0

staticconstexpr

DEF_MAX_AR_ORIENTATION_DEVIATION

constexpr double CDPL::Pharm::FeatureGeometryMatchFunctor::DEF_MAX_AR_ORIENTATION_DEVIATION = 45.0

staticconstexpr

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

• FeatureGeometryMatchFunctor.hpp