CDPL::GRAIL::GeneralizedBellAtomDensity Class Reference

GeneralizedBellAtomDensity. More...

#include <GeneralizedBellAtomDensity.hpp>

Public Member Functions
	GeneralizedBellAtomDensity (double probe_radius=DEF_PROBE_RADIUS, double rad_scaling_factor=DEF_RADIUS_SCALING_FACTOR)
double	getProbeRadius () const
double	getRadiusScalingFactor () const
double	operator() (const Math::Vector3D &pos, const Math::Vector3D &atom_pos, const Chem::Atom &atom) const

Static Public Attributes
static constexpr double	DEF_PROBE_RADIUS = 0.0
static constexpr double	DEF_RADIUS_SCALING_FACTOR = 1.0

Detailed Description

GeneralizedBellAtomDensity.

Constructor & Destructor Documentation

GeneralizedBellAtomDensity()

CDPL::GRAIL::GeneralizedBellAtomDensity::GeneralizedBellAtomDensity ( double  probe_radius = DEF_PROBE_RADIUS, double  rad_scaling_factor = DEF_RADIUS_SCALING_FACTOR  )

inline

Member Function Documentation

getProbeRadius()

double CDPL::GRAIL::GeneralizedBellAtomDensity::getProbeRadius

(

)

const

getRadiusScalingFactor()

double CDPL::GRAIL::GeneralizedBellAtomDensity::getRadiusScalingFactor

(

)

const

operator()()

double CDPL::GRAIL::GeneralizedBellAtomDensity::operator()	(	const Math::Vector3D &	pos,
		const Math::Vector3D &	atom_pos,
		const Chem::Atom &	atom
	)		const

Member Data Documentation

DEF_PROBE_RADIUS

constexpr double CDPL::GRAIL::GeneralizedBellAtomDensity::DEF_PROBE_RADIUS = 0.0

staticconstexpr

DEF_RADIUS_SCALING_FACTOR

constexpr double CDPL::GRAIL::GeneralizedBellAtomDensity::DEF_RADIUS_SCALING_FACTOR = 1.0

staticconstexpr

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

• GeneralizedBellAtomDensity.hpp