protocols::scoring::methods::pcsTs3::TensorsOptimizer_Ts3 Class Reference

#include <TensorsOptimizer.hh>

Inheritance diagram for protocols::scoring::methods::pcsTs3::TensorsOptimizer_Ts3:

Public Member Functions
	TensorsOptimizer_Ts3 (PCS_data_Ts3 const &pcs_d)
	~TensorsOptimizer_Ts3 () override
core::Real	operator() (core::optimization::Multivec const &vars) const override
void	dfunc (core::optimization::Multivec const &vars, core::optimization::Multivec &dE_dvars) const override
	OptE dfunc. More...
Public Member Functions inherited from core::optimization::Multifunc
	~Multifunc () override=default
	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_Ts3 const &	pcs_d_

Private Member Functions
	TensorsOptimizer_Ts3 ()
	Must pass a PCS_data_Ts3 object! More...

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

Constructor & Destructor Documentation

TensorsOptimizer_Ts3() [1/2]

protocols::scoring::methods::pcsTs3::TensorsOptimizer_Ts3::TensorsOptimizer_Ts3 ( )

private

Must pass a PCS_data_Ts3 object!

TensorsOptimizer_Ts3() [2/2]

protocols::scoring::methods::pcsTs3::TensorsOptimizer_Ts3::TensorsOptimizer_Ts3

(

PCS_data_Ts3 const &

pcs_d

)

~TensorsOptimizer_Ts3()

protocols::scoring::methods::pcsTs3::TensorsOptimizer_Ts3::~TensorsOptimizer_Ts3 ( )

overridedefault

Member Function Documentation

dfunc()

void protocols::scoring::methods::pcsTs3::TensorsOptimizer_Ts3::dfunc ( core::optimization::Multivec const &  vars, core::optimization::Multivec &  dE_dvars  ) const

overridevirtual

OptE dfunc.

Implements core::optimization::Multifunc.

References protocols::comparative_modeling::features::A, protocols::scoring::methods::pcsTs3::fill_A_line(), protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::get_A_index(), protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::get_fstyle_b(), protocols::scoring::methods::pcsTs3::PCS_data_Ts3::get_n_lanthanides(), protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::get_n_pcs(), protocols::scoring::methods::pcsTs3::PCS_data_Ts3::get_pcs_data_per_lanthanides_all(), protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::get_weight(), protocols::scoring::methods::pcsTs3::PCS_data_Ts3::get_X_all(), protocols::scoring::methods::pcsTs3::PCS_data_Ts3::get_Y_all(), protocols::scoring::methods::pcsTs3::PCS_data_Ts3::get_Z_all(), pcs_d_, and protocols::hybridization::r2.

operator()()

core::Real protocols::scoring::methods::pcsTs3::TensorsOptimizer_Ts3::operator() ( core::optimization::Multivec const &  vars ) const

overridevirtual

Implements core::optimization::Multifunc.

References protocols::comparative_modeling::features::A, protocols::scoring::methods::pcsTs3::fill_A_line(), protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::get_A_index(), protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::get_fstyle_b(), protocols::scoring::methods::pcsTs3::PCS_data_Ts3::get_n_lanthanides(), protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::get_n_pcs(), protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::get_normalization_factor(), protocols::scoring::methods::pcsTs3::PCS_data_Ts3::get_pcs_data_per_lanthanides_all(), protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::get_weight(), protocols::scoring::methods::pcsTs3::PCS_data_Ts3::get_X_all(), protocols::scoring::methods::pcsTs3::PCS_data_Ts3::get_Y_all(), protocols::scoring::methods::pcsTs3::PCS_data_Ts3::get_Z_all(), pcs_d_, protocols::hybridization::score, and protocols::scoring::methods::pcsTs3::TR_tsr_opt_Ts3().

Member Data Documentation

pcs_d_

PCS_data_Ts3 const& protocols::scoring::methods::pcsTs3::TensorsOptimizer_Ts3::pcs_d_

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

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

• src/protocols/scoring/methods/pcsTs3/TensorsOptimizer.hh
• src/protocols/scoring/methods/pcsTs3/TensorsOptimizer.cc