protocols::membrane::scoring::MEnvElectroAtomParams Class Reference

A container for storing implicit membrane environment electrostatic parameters and derivatives. More...

#include <MEnvElectroAtomParams.hh>

Inheritance diagram for protocols::membrane::scoring::MEnvElectroAtomParams:

Public Member Functions
	MEnvElectroAtomParams ()
	MEnvElectroAtomParams (std::string const &atom_type_name, core::Real const charge, core::Real const elec_field, core::Real const elec_field_gradient, core::Vector const f1, core::Vector const f2)
	~MEnvElectroAtomParams () override
MEnvElectroAtomParamsOP	clone () const
std::string	atom_type_name () const
core::Real	charge () const
core::Real	elec_field () const
core::Real	elec_field_gradient () const
core::Vector	f1 () const
core::Vector	f2 () const

Private Attributes
std::string	atom_type_name_ =""
core::Real	charge_ =0.0
core::Real	elec_field_ =0.0
core::Real	elec_field_gradient_ =0.0
numeric::xyzVector< core::Real >	f1_ {0.0}
numeric::xyzVector< core::Real >	f2_ {0.0}

Detailed Description

A container for storing implicit membrane environment electrostatic parameters and derivatives.

Constructor & Destructor Documentation

MEnvElectroAtomParams() [1/2]

protocols::membrane::scoring::MEnvElectroAtomParams::MEnvElectroAtomParams

(

)

Referenced by clone().

MEnvElectroAtomParams() [2/2]

protocols::membrane::scoring::MEnvElectroAtomParams::MEnvElectroAtomParams	(	std::string const &	atom_type_name,
		core::Real const	charge,
		core::Real const	elec_field,
		core::Real const	elec_field_gradient,
		core::Vector const	f1,
		core::Vector const	f2
	)

~MEnvElectroAtomParams()

protocols::membrane::scoring::MEnvElectroAtomParams::~MEnvElectroAtomParams ( )

override

Member Function Documentation

atom_type_name()

std::string protocols::membrane::scoring::MEnvElectroAtomParams::atom_type_name ( ) const

inline

References atom_type_name_.

charge()

core::Real protocols::membrane::scoring::MEnvElectroAtomParams::charge ( ) const

inline

References charge_.

Referenced by protocols::membrane::scoring::ElectricfieldLipidlayer::eval_felec_lipidlayer().

clone()

MEnvElectroAtomParamsOP protocols::membrane::scoring::MEnvElectroAtomParams::clone

(

)

const

References MEnvElectroAtomParams().

elec_field()

core::Real protocols::membrane::scoring::MEnvElectroAtomParams::elec_field ( ) const

inline

References elec_field_.

Referenced by protocols::membrane::scoring::ElectricfieldLipidlayer::eval_felec_lipidlayer().

elec_field_gradient()

core::Real protocols::membrane::scoring::MEnvElectroAtomParams::elec_field_gradient ( ) const

inline

References elec_field_gradient_.

f1()

core::Vector protocols::membrane::scoring::MEnvElectroAtomParams::f1 ( ) const

inline

References f1_.

f2()

core::Vector protocols::membrane::scoring::MEnvElectroAtomParams::f2 ( ) const

inline

References f2_.

Member Data Documentation

atom_type_name_

std::string protocols::membrane::scoring::MEnvElectroAtomParams::atom_type_name_ =""

private

Referenced by atom_type_name().

charge_

core::Real protocols::membrane::scoring::MEnvElectroAtomParams::charge_ =0.0

private

Referenced by charge().

elec_field_

core::Real protocols::membrane::scoring::MEnvElectroAtomParams::elec_field_ =0.0

private

Referenced by elec_field().

elec_field_gradient_

core::Real protocols::membrane::scoring::MEnvElectroAtomParams::elec_field_gradient_ =0.0

private

Referenced by elec_field_gradient().

f1_

numeric::xyzVector< core::Real > protocols::membrane::scoring::MEnvElectroAtomParams::f1_ {0.0}

private

Referenced by f1().

f2_

numeric::xyzVector< core::Real > protocols::membrane::scoring::MEnvElectroAtomParams::f2_ {0.0}

private

Referenced by f2().

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

• src/protocols/membrane/scoring/MEnvElectroAtomParams.hh
• src/protocols/membrane/scoring/MEnvElectroAtomParams.cc