Rosetta: core::optimization::SimpleDerivCheckResult Class Reference

Rosetta

#include <NumericalDerivCheckResult.hh>

Inheritance diagram for core::optimization::SimpleDerivCheckResult:

Inheritance graph

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Public Member Functions
	~SimpleDerivCheckResult () override
	Automatically generated virtual destructor for class deriving directly from VirtualBase. More...

	SimpleDerivCheckResult (Size const nangles, Size const nsteps)

Size	nangles () const

Size	nsteps () const

void	abs_deriv_dev (Size dof_ind, Real val)

void	rel_deriv_dev (Size dof_ind, Real val)

void	best_cos_theta (Real val)

void	best_abs_log_norm_ratio (Real val)

void	best_norm_analytic (Real val)

void	best_norm_numeric (Real val)

void	step_data (Size dof_ind, Size step_ind, DerivCheckDataPoint const &dp)

Real	abs_deriv_dev (Size dof_ind) const

Real	rel_deriv_dev (Size dof_ind) const

Real	best_cos_theta () const

Real	best_abs_log_norm_ratio () const

Real	best_norm_analytic () const

Real	best_norm_numeric () const

DerivCheckDataPoint const &	step_data (Size dof_ind, Size step_ind) const

Private Attributes
utility::vector1< utility::vector1< DerivCheckDataPoint > >	step_data_

utility::vector1< Real >	abs_deriv_dev_

utility::vector1< Real >	rel_deriv_dev_

Real	best_cos_theta_

Real	best_abs_log_norm_ratio_

Real	best_norm_analytic_

Real	best_norm_numeric_

Constructor & Destructor Documentation

◆ ~SimpleDerivCheckResult()

core::optimization::SimpleDerivCheckResult::~SimpleDerivCheckResult ( )

overridedefault

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

◆ SimpleDerivCheckResult()

core::optimization::SimpleDerivCheckResult::SimpleDerivCheckResult	(	Size const	nangles,
		Size const	nsteps
	)

inline

References nangles(), nsteps(), and step_data_.

Member Function Documentation

◆ abs_deriv_dev() [1/2]

Real core::optimization::SimpleDerivCheckResult::abs_deriv_dev ( Size dof_ind ) const

inline

References abs_deriv_dev_.

◆ abs_deriv_dev() [2/2]

void core::optimization::SimpleDerivCheckResult::abs_deriv_dev	(	Size	dof_ind,
		Real	val
	)

inline

References abs_deriv_dev_, and protocols::hybridization::val.

Referenced by core::optimization::simple_numeric_deriv_check().

◆ best_abs_log_norm_ratio() [1/2]

Real core::optimization::SimpleDerivCheckResult::best_abs_log_norm_ratio ( ) const

inline

References best_abs_log_norm_ratio_.

◆ best_abs_log_norm_ratio() [2/2]

void core::optimization::SimpleDerivCheckResult::best_abs_log_norm_ratio ( Real val )

inline

References best_abs_log_norm_ratio_, and protocols::hybridization::val.

Referenced by core::optimization::simple_numeric_deriv_check().

◆ best_cos_theta() [1/2]

Real core::optimization::SimpleDerivCheckResult::best_cos_theta ( ) const

inline

References best_cos_theta_.

◆ best_cos_theta() [2/2]

void core::optimization::SimpleDerivCheckResult::best_cos_theta ( Real val )

inline

References best_cos_theta_, and protocols::hybridization::val.

Referenced by core::optimization::simple_numeric_deriv_check().

◆ best_norm_analytic() [1/2]

Real core::optimization::SimpleDerivCheckResult::best_norm_analytic ( ) const

inline

References best_norm_analytic_.

◆ best_norm_analytic() [2/2]

void core::optimization::SimpleDerivCheckResult::best_norm_analytic ( Real val )

inline

References best_norm_analytic_, and protocols::hybridization::val.

Referenced by core::optimization::simple_numeric_deriv_check().

◆ best_norm_numeric() [1/2]

Real core::optimization::SimpleDerivCheckResult::best_norm_numeric ( ) const

inline

References best_norm_numeric_.

◆ best_norm_numeric() [2/2]

void core::optimization::SimpleDerivCheckResult::best_norm_numeric ( Real val )

inline

References best_norm_numeric_, and protocols::hybridization::val.

Referenced by core::optimization::simple_numeric_deriv_check().

◆ nangles()

Size core::optimization::SimpleDerivCheckResult::nangles ( ) const

inline

References step_data_.

Referenced by core::optimization::NumDerivCheckData::NumDerivCheckData(), and SimpleDerivCheckResult().

◆ nsteps()

Size core::optimization::SimpleDerivCheckResult::nsteps ( ) const

inline

References step_data_.

Referenced by core::optimization::NumDerivCheckData::NumDerivCheckData(), and SimpleDerivCheckResult().

◆ rel_deriv_dev() [1/2]

Real core::optimization::SimpleDerivCheckResult::rel_deriv_dev ( Size dof_ind ) const

inline

References rel_deriv_dev_.

◆ rel_deriv_dev() [2/2]

void core::optimization::SimpleDerivCheckResult::rel_deriv_dev	(	Size	dof_ind,
		Real	val
	)

inline

References rel_deriv_dev_, and protocols::hybridization::val.

Referenced by core::optimization::simple_numeric_deriv_check().

◆ step_data() [1/2]

DerivCheckDataPoint const& core::optimization::SimpleDerivCheckResult::step_data	(	Size	dof_ind,
		Size	step_ind
	)		const

inline

References step_data_.

◆ step_data() [2/2]

void core::optimization::SimpleDerivCheckResult::step_data	(	Size	dof_ind,
		Size	step_ind,
		DerivCheckDataPoint const &	dp
	)

inline

References step_data_.

Referenced by core::optimization::NumDerivCheckData::dof_step_data(), and core::optimization::simple_numeric_deriv_check().

Member Data Documentation

◆ abs_deriv_dev_

utility::vector1< Real > core::optimization::SimpleDerivCheckResult::abs_deriv_dev_

private

Referenced by abs_deriv_dev().

◆ best_abs_log_norm_ratio_

Real core::optimization::SimpleDerivCheckResult::best_abs_log_norm_ratio_

private

Referenced by best_abs_log_norm_ratio().

◆ best_cos_theta_

Real core::optimization::SimpleDerivCheckResult::best_cos_theta_

private

Referenced by best_cos_theta().

◆ best_norm_analytic_

Real core::optimization::SimpleDerivCheckResult::best_norm_analytic_

private

Referenced by best_norm_analytic().

◆ best_norm_numeric_

Real core::optimization::SimpleDerivCheckResult::best_norm_numeric_

private

Referenced by best_norm_numeric().

◆ rel_deriv_dev_

utility::vector1< Real > core::optimization::SimpleDerivCheckResult::rel_deriv_dev_

private

Referenced by rel_deriv_dev().

◆ step_data_

utility::vector1< utility::vector1< DerivCheckDataPoint > > core::optimization::SimpleDerivCheckResult::step_data_

private

Referenced by nangles(), nsteps(), SimpleDerivCheckResult(), and step_data().

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

src/core/optimization/NumericalDerivCheckResult.hh
src/core/optimization/NumericalDerivCheckResult.cc