core::optimization::MinimizerOptions Class Reference

#include <MinimizerOptions.hh>

Public Member Functions
virtual	~MinimizerOptions ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
	MinimizerOptions (std::string const &min_type_in, Real const minimize_tolerance_in, bool const use_nblist_in, bool const deriv_check_in=false, bool const deriv_check_verbose_in=false)
MinimizerOptionsOP	clone () const
std::string const &	min_type () const
void	min_type (std::string min_type_in)
std::string &	min_type ()
void	deriv_check (bool deriv_check_in)
void	deriv_check_to_stdout (bool setting)
bool	deriv_check () const
bool	deriv_check_verbose () const
bool	deriv_check_to_stdout () const
Real	minimize_tolerance () const
Real &	minimize_tolerance ()
void	minimize_tolerance (Real minimize_tolerance_in)
bool	use_nblist () const
void	use_nblist (bool use_nblist_in)
bool	nblist_auto_update () const
void	nblist_auto_update (bool setting)
bool	silent () const
void	silent (bool silent_in)
Real	gmax_cutoff_for_convergence () const
void	gmax_cutoff_for_convergence (Real gmax_in)
Real	ax_init () const
Real	xx_init () const
Real	bx_init () const
Real	brent_abs_tolerance () const
int	max_iter () const
void	max_iter (int n)
Real	ga_mutation_probability () const
void	ga_mutation_probability (Real p)

Private Attributes
int	max_iter_
std::string	min_type_
Real	minimize_tolerance_
bool	use_nblist_
bool	nblist_auto_update_
bool	deriv_check_
bool	deriv_check_verbose_
bool	deriv_check_to_stdout_
bool	silent_
Real	gmax_cutoff_for_convergence_
Real	ax_init_
Real	xx_init_
Real	bx_init_
Real	brent_abs_tolerance_
Real	ga_mutation_probability_

Constructor & Destructor Documentation

core::optimization::MinimizerOptions::~MinimizerOptions ( )

virtual

Automatically generated virtual destructor for class deriving directly from ReferenceCount.

Auto-generated virtual destructor

core::optimization::MinimizerOptions::MinimizerOptions	(	std::string const &	min_type_in,
		Real const	minimize_tolerance_in,
		bool const	use_nblist_in,
		bool const	deriv_check_in = false,
		bool const	deriv_check_verbose_in = false
	)

References max_iter_, nblist_auto_update_, option, and user.

Referenced by clone().

Member Function Documentation

Real core::optimization::MinimizerOptions::ax_init

(

)

const

References ax_init_.

Real core::optimization::MinimizerOptions::brent_abs_tolerance

(

)

const

References brent_abs_tolerance_.

Real core::optimization::MinimizerOptions::bx_init

(

)

const

References bx_init_.

MinimizerOptionsOP core::optimization::MinimizerOptions::clone

(

)

const

References deriv_check_, deriv_check_to_stdout_, deriv_check_verbose_, min_type_, minimize_tolerance_, MinimizerOptions(), nblist_auto_update_, and use_nblist_.

void core::optimization::MinimizerOptions::deriv_check

(

bool

deriv_check_in

)

References deriv_check_.

Referenced by core::optimization::symmetry::SymAtomTreeMinimizer::run(), core::optimization::CartesianMinimizer::run(), and core::optimization::AtomTreeMinimizer::run().

bool core::optimization::MinimizerOptions::deriv_check

(

)

const

References deriv_check_.

void core::optimization::MinimizerOptions::deriv_check_to_stdout

(

bool

setting

)

References deriv_check_to_stdout_.

Referenced by core::optimization::CartesianMinimizer::run(), and core::optimization::AtomTreeMinimizer::run().

bool core::optimization::MinimizerOptions::deriv_check_to_stdout

(

)

const

References deriv_check_to_stdout_.

bool core::optimization::MinimizerOptions::deriv_check_verbose

(

)

const

References deriv_check_verbose_.

Referenced by core::optimization::symmetry::SymAtomTreeMinimizer::run(), core::optimization::CartesianMinimizer::run(), and core::optimization::AtomTreeMinimizer::run().

Real core::optimization::MinimizerOptions::ga_mutation_probability

(

)

const

References ga_mutation_probability_.

void core::optimization::MinimizerOptions::ga_mutation_probability

(

Real

p

)

References ga_mutation_probability_.

Real core::optimization::MinimizerOptions::gmax_cutoff_for_convergence

(

)

const

References gmax_cutoff_for_convergence_.

Referenced by core::optimization::Minimizer::dfpmin_armijo(), and core::optimization::Minimizer::lbfgs().

void core::optimization::MinimizerOptions::gmax_cutoff_for_convergence

(

Real

gmax_in

)

References gmax_cutoff_for_convergence_.

int core::optimization::MinimizerOptions::max_iter

(

)

const

References max_iter_.

Referenced by core::pack::RTMin::rtmin(), core::optimization::NelderMeadSimplex::run(), and core::optimization::Minimizer::run().

void core::optimization::MinimizerOptions::max_iter

(

int

n

)

References max_iter_.

std::string const & core::optimization::MinimizerOptions::min_type

(

)

const

References min_type_.

Referenced by core::optimization::AtomTreeMinimizer::check_setup(), core::optimization::CartesianMinimizer::run(), and core::optimization::Minimizer::run().

void core::optimization::MinimizerOptions::min_type

(

std::string

min_type_in

)

References min_type_.

std::string & core::optimization::MinimizerOptions::min_type

(

)

References min_type_.

Real core::optimization::MinimizerOptions::minimize_tolerance

(

)

const

References minimize_tolerance_.

Referenced by core::optimization::Minimizer::run().

Real & core::optimization::MinimizerOptions::minimize_tolerance

(

)

References minimize_tolerance_.

void core::optimization::MinimizerOptions::minimize_tolerance

(

Real

minimize_tolerance_in

)

References minimize_tolerance_.

bool core::optimization::MinimizerOptions::nblist_auto_update

(

)

const

References nblist_auto_update_.

Referenced by core::optimization::symmetry::SymAtomTreeMinimizer::run(), core::optimization::CartesianMinimizer::run(), and core::optimization::AtomTreeMinimizer::run().

void core::optimization::MinimizerOptions::nblist_auto_update

(

bool

setting

)

References nblist_auto_update_.

bool core::optimization::MinimizerOptions::silent

(

)

const

References silent_.

Referenced by core::optimization::Minimizer::dfpmin(), core::optimization::Minimizer::dfpmin_armijo(), core::optimization::Minimizer::lbfgs(), core::pack::RTMin::rtmin(), and core::optimization::Minimizer::run().

void core::optimization::MinimizerOptions::silent

(

bool

silent_in

)

References silent_.

bool core::optimization::MinimizerOptions::use_nblist

(

)

const

References use_nblist_.

Referenced by core::optimization::symmetry::SymAtomTreeMinimizer::run(), core::optimization::CartesianMinimizer::run(), and core::optimization::AtomTreeMinimizer::run().

void core::optimization::MinimizerOptions::use_nblist

(

bool

use_nblist_in

)

References use_nblist_.

Real core::optimization::MinimizerOptions::xx_init

(

)

const

References xx_init_.

Member Data Documentation

Real core::optimization::MinimizerOptions::ax_init_

private

Referenced by ax_init().

Real core::optimization::MinimizerOptions::brent_abs_tolerance_

private

Referenced by brent_abs_tolerance().

Real core::optimization::MinimizerOptions::bx_init_

private

Referenced by bx_init().

bool core::optimization::MinimizerOptions::deriv_check_

private

Referenced by clone(), and deriv_check().

bool core::optimization::MinimizerOptions::deriv_check_to_stdout_

private

Referenced by clone(), and deriv_check_to_stdout().

bool core::optimization::MinimizerOptions::deriv_check_verbose_

private

Referenced by clone(), and deriv_check_verbose().

Real core::optimization::MinimizerOptions::ga_mutation_probability_

private

Referenced by ga_mutation_probability().

Real core::optimization::MinimizerOptions::gmax_cutoff_for_convergence_

private

Referenced by gmax_cutoff_for_convergence().

int core::optimization::MinimizerOptions::max_iter_

private

Referenced by max_iter(), and MinimizerOptions().

std::string core::optimization::MinimizerOptions::min_type_

private

Referenced by clone(), and min_type().

Real core::optimization::MinimizerOptions::minimize_tolerance_

private

Referenced by clone(), and minimize_tolerance().

bool core::optimization::MinimizerOptions::nblist_auto_update_

private

Referenced by clone(), MinimizerOptions(), and nblist_auto_update().

bool core::optimization::MinimizerOptions::silent_

private

Referenced by silent().

bool core::optimization::MinimizerOptions::use_nblist_

private

Referenced by clone(), and use_nblist().

Real core::optimization::MinimizerOptions::xx_init_

private

Referenced by xx_init().

---

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

• symlinks/rosetta/src/core/optimization/MinimizerOptions.hh
• symlinks/rosetta/src/core/optimization/MinimizerOptions.cc