core::scoring::OneDDistPotential Class Reference

#include <OneDDistPotential.hh>

Inheritance diagram for core::scoring::OneDDistPotential:

Public Member Functions
	OneDDistPotential (std::string const &filename)
	OneDDistPotential (numeric::MathNTensor< core::Real, 1 > const &tensor, utility::json_spirit::mObject const &json)
	~OneDDistPotential () override
core::Real	evaluate (core::Real const dist) const
core::Real	get_derivative (core::Real const dist) const
core::Real	evaluate (core::Real const dist, bool const compute_deriv, core::Real &deriv) const

Private Member Functions
void	initialize_from_json (utility::json_spirit::mObject const &json)

Private Attributes
numeric::MathNTensor< core::Real, 1 >	tensor_
utility::fixedsizearray1< core::Real, 1 >	minval_
utility::fixedsizearray1< core::Real, 1 >	binwidth_
utility::fixedsizearray1< numeric::interpolation::CatmullRomSplineBoundaryType, 1 > const	boundary_

Constructor & Destructor Documentation

OneDDistPotential() [1/2]

core::scoring::OneDDistPotential::OneDDistPotential

(

std::string const &

filename

)

References protocols::abinitio::filename(), initialize_from_json(), and tensor_.

OneDDistPotential() [2/2]

core::scoring::OneDDistPotential::OneDDistPotential	(	numeric::MathNTensor< core::Real, 1 > const &	tensor,
		utility::json_spirit::mObject const &	json
	)

References initialize_from_json(), and tensor_.

~OneDDistPotential()

core::scoring::OneDDistPotential::~OneDDistPotential ( )

overridedefault

Member Function Documentation

evaluate() [1/2]

core::Real core::scoring::OneDDistPotential::evaluate

(

core::Real const

dist

)

const

Referenced by core::energy_methods::RNA_CoarseDistEnergy::backbone_backbone_energy(), core::energy_methods::RNA_CoarseDistEnergy::backbone_sidechain_energy(), get_derivative(), core::energy_methods::RNA_CoarseDistEnergy::score_atom_pair(), and core::energy_methods::RNA_CoarseDistEnergy::sidechain_sidechain_energy().

evaluate() [2/2]

core::Real core::scoring::OneDDistPotential::evaluate	(	core::Real const	dist,
		bool const	compute_deriv,
		core::Real &	deriv
	)		const

References binwidth_, boundary_, minval_, tensor_, and core::scoring::TR().

get_derivative()

core::Real core::scoring::OneDDistPotential::get_derivative

(

core::Real const

dist

)

const

References evaluate().

Referenced by core::energy_methods::RNA_CoarseDistEnergy::deriv_atom_pair().

initialize_from_json()

void core::scoring::OneDDistPotential::initialize_from_json ( utility::json_spirit::mObject const &  json )

private

References binwidth_, core::scoring::get_minval_binwidth(), minval_, and tensor_.

Referenced by OneDDistPotential().

Member Data Documentation

binwidth_

utility::fixedsizearray1< core::Real, 1 > core::scoring::OneDDistPotential::binwidth_

private

Referenced by evaluate(), and initialize_from_json().

boundary_

utility::fixedsizearray1< numeric::interpolation::CatmullRomSplineBoundaryType, 1 > const core::scoring::OneDDistPotential::boundary_

private

Referenced by evaluate().

minval_

utility::fixedsizearray1< core::Real, 1 > core::scoring::OneDDistPotential::minval_

private

Referenced by evaluate(), and initialize_from_json().

tensor_

numeric::MathNTensor< core::Real, 1 > core::scoring::OneDDistPotential::tensor_

private

Referenced by evaluate(), initialize_from_json(), and OneDDistPotential().

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

• src/core/scoring/OneDDistPotential.hh
• src/core/scoring/OneDDistPotential.cc