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

#include <TensorsOptimizer.hh>

Public Member Functions
	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 void	dump (Multivec const &, Multivec const &) const

Public Attributes
PCS_data const &	pcs_d_

Private Member Functions
	TensorsOptimizer ()
	No default constructor: You must provide a PCS_data object when constructing. More...

Constructor & Destructor Documentation

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

private

No default constructor: You must provide a PCS_data object when constructing.

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

(

PCS_data const &

pcs_d

)

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

virtual

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.

References 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(), pcs_d_, numeric::constants::d::pi, r2, utility_exit_with_message, and weight.

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

virtual

Implements core::optimization::Multifunc.

References 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_, score, protocols::scoring::methods::pcs::TR_tsr_opt, utility_exit_with_message, and weight.

Member Data Documentation

PCS_data const& protocols::scoring::methods::pcs::TensorsOptimizer::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/pcs/TensorsOptimizer.hh
• src/protocols/scoring/methods/pcs/TensorsOptimizer.cc