core::optimization::NumDerivCheckData Class Reference

#include <NumericalDerivCheckResult.hh>

Inheritance diagram for core::optimization::NumDerivCheckData:

Public Types
typedef SimpleDerivCheckResult	parent

Public Member Functions
	NumDerivCheckData (Size const nangles, Size const nsteps)
	~NumDerivCheckData () override=default
void	dof_step_data (Size dof_ind, Size step_ind, DOF_DataPoint const &dofdp)
DOF_DataPoint const &	dof_step_data (Size dof_ind, Size step_ind) const
Public Member Functions inherited from core::optimization::SimpleDerivCheckResult
	~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 < DOF_DataPoint > >	dof_step_data_

Member Typedef Documentation

typedef SimpleDerivCheckResult core::optimization::NumDerivCheckData::parent

Constructor & Destructor Documentation

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

inline

References dof_step_data_, and core::optimization::SimpleDerivCheckResult::nangles().

core::optimization::NumDerivCheckData::~NumDerivCheckData ( )

overridedefault

Member Function Documentation

void core::optimization::NumDerivCheckData::dof_step_data ( Size  dof_ind, Size  step_ind, DOF_DataPoint const &  dofdp  )

inline

References core::optimization::DOF_DataPoint::ana_deriv(), dof_step_data_, core::optimization::DOF_DataPoint::dof_val(), core::optimization::DOF_DataPoint::f00(), core::optimization::DOF_DataPoint::f11(), core::optimization::DOF_DataPoint::f22(), core::optimization::DOF_DataPoint::num_deriv(), core::optimization::DOF_DataPoint::ratio(), and core::optimization::SimpleDerivCheckResult::step_data().

DOF_DataPoint const& core::optimization::NumDerivCheckData::dof_step_data ( Size  dof_ind, Size  step_ind  ) const

inline

References dof_step_data_.

Member Data Documentation

utility::vector1< utility::vector1< DOF_DataPoint > > core::optimization::NumDerivCheckData::dof_step_data_

private

Referenced by dof_step_data(), and NumDerivCheckData().

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

• src/core/optimization/NumericalDerivCheckResult.hh