core::optimization::Multifunc Class Reference

Multifunction interface class. More...

#include <Multifunc.hh>

Inheritance diagram for core::optimization::Multifunc:

Collaboration diagram for core::optimization::Multifunc:

Public Types
typedef utility::pointer::ReferenceCount	parent

Public Member Functions
virtual	~Multifunc ()
	Destructor. More...
virtual Real	operator() (Multivec const &phipsi) const =0
virtual void	dfunc (Multivec const &phipsi, Multivec &dE_dphipsi) const =0
virtual bool	abort_min (Multivec const &) const
	Christophe added the following to allow premature end of minimization If you want to abort the minimizer under specific circonstances overload this function and return true if you want to stop, false if you want to continue. FOR THE MOMENT, ONLY IN DFPMIN! More...
virtual void	dump (Multivec const &, Multivec const &) const
	Error state reached – derivative does not match gradient Derived classes have the oportunity to now output and or analyze the two vars assignments vars, vars+delta where the derivatives are incorrect. More...

Protected Member Functions
	Multifunc ()
	Default constructor. More...
	Multifunc (Multifunc const &)
	Copy constructor. More...
Multifunc const &	operator= (Multifunc const &)
	Copy assignment. More...

Detailed Description

Multifunction interface class.

Definition at line 35 of file Multifunc.hh.

Member Typedef Documentation

typedef utility::pointer::ReferenceCount core::optimization::Multifunc::parent

Definition at line 38 of file Multifunc.hh.

Constructor & Destructor Documentation

core::optimization::Multifunc::Multifunc ( )

inlineprotected

Default constructor.

Definition at line 45 of file Multifunc.hh.

core::optimization::Multifunc::Multifunc ( Multifunc const &  )

inlineprotected

Copy constructor.

Definition at line 51 of file Multifunc.hh.

virtual core::optimization::Multifunc::~Multifunc ( )

inlinevirtual

Destructor.

Definition at line 60 of file Multifunc.hh.

Member Function Documentation

virtual bool core::optimization::Multifunc::abort_min ( Multivec const &  ) const

inlinevirtual

Christophe added the following to allow premature end of minimization If you want to abort the minimizer under specific circonstances overload this function and return true if you want to stop, false if you want to continue. FOR THE MOMENT, ONLY IN DFPMIN!

Reimplemented in protocols::scoring::methods::pcs2::TensorsOptimizerSvd, protocols::scoring::methods::pcs2::TensorsOptimizer, core::pack::scmin::SCMinMultifunc, and core::pack::scmin::CartSCMinMultifunc.

Definition at line 94 of file Multifunc.hh.

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

virtual void core::optimization::Multifunc::dfunc ( Multivec const &  phipsi, Multivec &  dE_dphipsi  ) const

pure virtual

Implemented in protocols::optimize_weights::WrapperOptEMultifunc, protocols::optimize_weights::OptEMultifunc, protocols::scoring::methods::pcs2::TensorsOptimizerFix, protocols::scoring::methods::pcs2::TensorsOptimizerSvd, protocols::scoring::methods::pcs2::TensorsOptimizer, protocols::scoring::methods::pcs::TensorsOptimizer, core::pack::scmin::SCMinMultifunc, core::pack::scmin::CartSCMinMultifunc, core::optimization::symmetry::SymAtomTreeMultifunc, protocols::qsar::qsarOptFunc, core::optimization::AtomTreeMultifunc, core::optimization::CartesianMultifunc, and protocols::pockets::FingerprintMultifunc.

Referenced by core::optimization::Minimizer::dfpmin(), core::optimization::Minimizer::dfpmin_armijo(), core::optimization::func_1d::dfunc(), core::optimization::Minimizer::lbfgs(), core::optimization::JJH_Minimizer::run(), and core::optimization::Minimizer::run().

virtual void core::optimization::Multifunc::dump ( Multivec const &  , Multivec const &    ) const

inlinevirtual

Error state reached – derivative does not match gradient Derived classes have the oportunity to now output and or analyze the two vars assignments vars, vars+delta where the derivatives are incorrect.

Reimplemented in core::pack::scmin::SCMinMultifunc, core::pack::scmin::CartSCMinMultifunc, core::optimization::symmetry::SymAtomTreeMultifunc, protocols::qsar::qsarOptFunc, core::optimization::AtomTreeMultifunc, and core::optimization::CartesianMultifunc.

Definition at line 105 of file Multifunc.hh.

virtual Real core::optimization::Multifunc::operator() ( Multivec const &  phipsi) const

pure virtual

Implemented in protocols::optimize_weights::WrapperOptEMultifunc, protocols::optimize_weights::OptEMultifunc, protocols::scoring::methods::pcs2::TensorsOptimizerFix, protocols::scoring::methods::pcs2::TensorsOptimizerSvd, protocols::scoring::methods::pcs::TensorsOptimizer, protocols::scoring::methods::pcs2::TensorsOptimizer, core::pack::scmin::SCMinMultifunc, core::pack::scmin::CartSCMinMultifunc, core::optimization::symmetry::SymAtomTreeMultifunc, protocols::qsar::qsarOptFunc, core::optimization::SingleResidueMultifunc, core::optimization::AtomTreeMultifunc, core::optimization::CartesianMultifunc, and protocols::pockets::FingerprintMultifunc.

Multifunc const& core::optimization::Multifunc::operator= ( Multifunc const &  )

inlineprotected

Copy assignment.

Definition at line 70 of file Multifunc.hh.

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

• src/core/optimization/Multifunc.hh