protocols::scoring::methods::pcs::TensorsOptimizer Class Reference

#include <TensorsOptimizer.hh>

Inheritance diagram for protocols::scoring::methods::pcs::TensorsOptimizer:

Collaboration diagram for protocols::scoring::methods::pcs::TensorsOptimizer:

Public Member Functions
	TensorsOptimizer ()
	TensorsOptimizer (PCS_data const &pcs_d)
virtual	~TensorsOptimizer ()
virtual core::Real	operator() (core::optimization::Multivec const &vars) const
virtual void	dfunc (core::optimization::Multivec const &vars, core::optimization::Multivec &dE_dvars) const
	OptE dfunc. More...
Public Member Functions inherited from core::optimization::Multifunc
virtual	~Multifunc ()
	Destructor. More...
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...

Public Attributes
PCS_data const &	pcs_d_

Additional Inherited Members
Public Types inherited from core::optimization::Multifunc
typedef utility::pointer::ReferenceCount	parent
Protected Member Functions inherited from core::optimization::Multifunc
	Multifunc ()
	Default constructor. More...
	Multifunc (Multifunc const &)
	Copy constructor. More...
Multifunc const &	operator= (Multifunc const &)
	Copy assignment. More...

Detailed Description

Definition at line 59 of file TensorsOptimizer.hh.

Constructor & Destructor Documentation

protocols::scoring::methods::pcs::TensorsOptimizer::TensorsOptimizer

(

)

Definition at line 64 of file TensorsOptimizer.cc.

protocols::scoring::methods::pcs::TensorsOptimizer::TensorsOptimizer

(

PCS_data const &

pcs_d)

Definition at line 71 of file TensorsOptimizer.cc.

protocols::scoring::methods::pcs::TensorsOptimizer::~TensorsOptimizer ( )

virtual

Definition at line 76 of file TensorsOptimizer.cc.

Member Function Documentation

void protocols::scoring::methods::pcs::TensorsOptimizer::dfunc ( core::optimization::Multivec const &  vars, core::optimization::Multivec &  dE_dvars  ) const

virtual

OptE dfunc.

Implements core::optimization::Multifunc.

Definition at line 150 of file TensorsOptimizer.cc.

References protocols::comparative_modeling::features::A, protocols::scoring::methods::pcs::fill_A_line(), protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_A_index(), protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_fstyle_b(), protocols::scoring::methods::pcs::PCS_data::get_n_lanthanides(), protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_n_pcs(), protocols::scoring::methods::pcs::PCS_data::get_pcs_data_per_lanthanides_all(), protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_weight(), protocols::scoring::methods::pcs::PCS_data::get_X_all(), protocols::scoring::methods::pcs::PCS_data::get_Y_all(), protocols::scoring::methods::pcs::PCS_data::get_Z_all(), and pcs_d_.

core::Real protocols::scoring::methods::pcs::TensorsOptimizer::operator() ( core::optimization::Multivec const &  vars) const

virtual

Implements core::optimization::Multifunc.

Definition at line 80 of file TensorsOptimizer.cc.

References protocols::comparative_modeling::features::A, protocols::scoring::methods::pcs::fill_A_line(), protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_A_index(), protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_fstyle_b(), protocols::scoring::methods::pcs::PCS_data::get_n_lanthanides(), protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_n_pcs(), protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_normalization_factor(), protocols::scoring::methods::pcs::PCS_data::get_pcs_data_per_lanthanides_all(), protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_weight(), protocols::scoring::methods::pcs::PCS_data::get_X_all(), protocols::scoring::methods::pcs::PCS_data::get_Y_all(), protocols::scoring::methods::pcs::PCS_data::get_Z_all(), pcs_d_, and protocols::scoring::methods::pcs::TR_tsr_opt().

Member Data Documentation

PCS_data const& protocols::scoring::methods::pcs::TensorsOptimizer::pcs_d_

Definition at line 62 of file TensorsOptimizer.hh.

Referenced by dfunc(), and operator()().

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

• src/protocols/scoring/methods/pcs/TensorsOptimizer.hh
• src/protocols/scoring/methods/pcs/TensorsOptimizer.cc