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protocols::scoring::methods::pcs::PCS_data_per_lanthanides Class Reference

#include <PseudocontactShiftData.hh>

Public Member Functions

 PCS_data_per_lanthanides (std::string const &, core::Real const weight, utility::vector1< PCS_line_data > &PCS_d_l_a)
 
 ~PCS_data_per_lanthanides ()
 
 PCS_data_per_lanthanides (PCS_data_per_lanthanides const &other)
 
PCS_data_per_lanthanidesoperator= (PCS_data_per_lanthanides const &other)
 
void set_A_index (core::Size j, core::Size n_pcs_spin_)
 
void update_my_A_matrix (utility::vector1< utility::vector1< core::Real > > &A_all)
 
core::Real get_weight () const
 
core::Real get_normalization_factor () const
 
std::string get_filename () const
 
core::Size get_n_pcs () const
 
utility::vector1< core::Size >
const & 
get_A_index () const
 
ObjexxFCL::FArray1D
< core::Real > const & 
get_fstyle_b () const
 
core::Real calculate_tensor_and_cost_with_svd (PCS_tensor &PCS_t)
 

Private Member Functions

 PCS_data_per_lanthanides ()
 

Private Attributes

std::string const filename_
 
core::Size n_pcs_
 
utility::vector1< core::SizeA_index_
 
ObjexxFCL::FArray2D< core::Realfstyle_A_
 
ObjexxFCL::FArray1D< core::Realfstyle_b_
 
basic::svd::SVD_Solver svd_s_
 
core::Real const weight_
 
core::Real normalization_1_
 
core::Real normalization_2_
 
core::Real normalization_3_
 
core::Real normalization_factor_
 

Friends

std::ostream & operator<< (std::ostream &out, const PCS_data_per_lanthanides &PCS_d_p_l)
 

Constructor & Destructor Documentation

protocols::scoring::methods::pcs::PCS_data_per_lanthanides::PCS_data_per_lanthanides ( std::string const &  filename,
core::Real const  weight,
utility::vector1< PCS_line_data > &  PCS_d_l_a 
)
protocols::scoring::methods::pcs::PCS_data_per_lanthanides::PCS_data_per_lanthanides ( )
private
protocols::scoring::methods::pcs::PCS_data_per_lanthanides::~PCS_data_per_lanthanides ( )
default
protocols::scoring::methods::pcs::PCS_data_per_lanthanides::PCS_data_per_lanthanides ( PCS_data_per_lanthanides const &  other)

Member Function Documentation

core::Real protocols::scoring::methods::pcs::PCS_data_per_lanthanides::calculate_tensor_and_cost_with_svd ( PCS_tensor PCS_t)
const utility::vector1< core::Size > & protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_A_index ( ) const
std::string protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_filename ( ) const
const FArray1D< core::Real > & protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_fstyle_b ( ) const
core::Size protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_n_pcs ( ) const
core::Real protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_normalization_factor ( ) const
core::Real protocols::scoring::methods::pcs::PCS_data_per_lanthanides::get_weight ( ) const
PCS_data_per_lanthanides & protocols::scoring::methods::pcs::PCS_data_per_lanthanides::operator= ( PCS_data_per_lanthanides const &  other)
void protocols::scoring::methods::pcs::PCS_data_per_lanthanides::set_A_index ( core::Size  j,
core::Size  n_pcs_spin_ 
)
void protocols::scoring::methods::pcs::PCS_data_per_lanthanides::update_my_A_matrix ( utility::vector1< utility::vector1< core::Real > > &  A_all)

References A_index_, fstyle_A_, and svd_s_.

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  out,
const PCS_data_per_lanthanides PCS_d_p_l 
)
friend

Member Data Documentation

utility::vector1<core::Size> protocols::scoring::methods::pcs::PCS_data_per_lanthanides::A_index_
private
std::string const protocols::scoring::methods::pcs::PCS_data_per_lanthanides::filename_
private

Referenced by get_filename().

ObjexxFCL::FArray2D< core::Real > protocols::scoring::methods::pcs::PCS_data_per_lanthanides::fstyle_A_
private
ObjexxFCL::FArray1D< core::Real > protocols::scoring::methods::pcs::PCS_data_per_lanthanides::fstyle_b_
private
core::Size protocols::scoring::methods::pcs::PCS_data_per_lanthanides::n_pcs_
private
core::Real protocols::scoring::methods::pcs::PCS_data_per_lanthanides::normalization_1_
private
core::Real protocols::scoring::methods::pcs::PCS_data_per_lanthanides::normalization_2_
private
core::Real protocols::scoring::methods::pcs::PCS_data_per_lanthanides::normalization_3_
private
core::Real protocols::scoring::methods::pcs::PCS_data_per_lanthanides::normalization_factor_
private
basic::svd::SVD_Solver protocols::scoring::methods::pcs::PCS_data_per_lanthanides::svd_s_
private
core::Real const protocols::scoring::methods::pcs::PCS_data_per_lanthanides::weight_
private

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