Rosetta Core: core::optimization::Minimizer Class Reference

Rosetta Core 2014.16.56682

Simple low-level minimizer class. More...

#include <Minimizer.hh>

Public Member Functions
	Minimizer (Multifunc &func_in, MinimizerOptions const &options_in)

Real	run (Multivec &phipsi_inout)
	See Minimization overview and concepts for details. More...

Private Member Functions
void	linmin (Multivec &P, Multivec &XI, Real &FRET, int const ITMAX) const

void	dfpmin (Multivec &P, Real &FRET, ConvergenceTest &converge_test, int const ITMAX) const

void	dfpmin_armijo (Multivec &P, Real &FRET, ConvergenceTest &converge_test, LineMinimizationAlgorithmOP line_min, int const ITMAX) const

void	lbfgs (Multivec &P, Real &FRET, ConvergenceTest &converge_test, LineMinimizationAlgorithmOP line_min, int const ITMAX, bool w_rescore=false) const

Private Attributes
Multifunc &	func_

MinimizerOptions	options_

Detailed Description

Simple low-level minimizer class.

Constructor & Destructor Documentation

core::optimization::Minimizer::Minimizer	(	Multifunc &	func_in,
		MinimizerOptions const &	options_in
	)

Member Function Documentation

void core::optimization::Minimizer::dfpmin	(	Multivec &	P,
		Real &	FRET,
		ConvergenceTest &	converge_test,
		int const	ITMAX
	)		const

private

References core::optimization::Multifunc::abort_min(), core::optimization::Multifunc::dfunc(), func_, j, options_, core::optimization::MinimizerOptions::silent(), and core::optimization::TR.

Referenced by run().

void core::optimization::Minimizer::dfpmin_armijo	(	Multivec &	P,
		Real &	FRET,
		ConvergenceTest &	converge_test,
		LineMinimizationAlgorithmOP	line_min,
		int const	ITMAX
	)		const

private

References core::optimization::Multifunc::dfunc(), func_, core::optimization::MinimizerOptions::gmax_cutoff_for_convergence(), j, options_, core::optimization::MinimizerOptions::silent(), and core::optimization::TR.

Referenced by run().

void core::optimization::Minimizer::lbfgs	(	Multivec &	P,
		Real &	FRET,
		ConvergenceTest &	converge_test,
		LineMinimizationAlgorithmOP	line_min,
		int const	ITMAX,
		bool	w_rescore = `false`
	)		const

private

References beta, core::id::D, core::optimization::Multifunc::dfunc(), func_, core::optimization::MinimizerOptions::gmax_cutoff_for_convergence(), j, basic::options::OptionKeys::optimization::lbfgs_M, basic::options::option, options_, s, core::optimization::MinimizerOptions::silent(), and core::optimization::TR.

Referenced by run().

void core::optimization::Minimizer::linmin	(	Multivec &	P,
		Multivec &	XI,
		Real &	FRET,
		int const	ITMAX
	)		const

private

References func_.

Referenced by run().

Real core::optimization::Minimizer::run ( Multivec & phipsi_inout )

See Minimization overview and concepts for details.

References dfpmin(), dfpmin_armijo(), core::optimization::Multifunc::dfunc(), func_, lbfgs(), linmin(), core::optimization::MinimizerOptions::max_iter(), core::optimization::MinimizerOptions::min_type(), core::optimization::MinimizerOptions::minimize_tolerance(), options_, core::optimization::GA_Minimizer::run(), core::optimization::MinimizerOptions::silent(), type, and utility_exit_with_message.

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

Member Data Documentation

Multifunc& core::optimization::Minimizer::func_

private

Referenced by dfpmin(), dfpmin_armijo(), lbfgs(), linmin(), and run().

MinimizerOptions core::optimization::Minimizer::options_

private

Referenced by dfpmin(), dfpmin_armijo(), lbfgs(), and run().

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

symlinks/rosetta/src/core/optimization/Minimizer.hh
symlinks/rosetta/src/core/optimization/Minimizer.cc