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protocols::scoring::methods::pcs2::PcsDataCenter Class Reference

#include <PcsDataCenter.hh>

Inheritance diagram for protocols::scoring::methods::pcs2::PcsDataCenter:
Inheritance graph
[legend]

Public Member Functions

 PcsDataCenter ()
 
 ~PcsDataCenter () override
 
 PcsDataCenter (PcsDataCenter const &other)
 
PcsDataCenteroperator= (PcsDataCenter const &src)
 
 PcsDataCenter (PcsInputCenter &pcs_i_c, core::Size start, core::Size end, core::Real individual_scale)
 
core::Size get_n_lanthanides () const
 Give me the number of lanthanides for this center. More...
 
utility::vector1
< utility::vector1< core::Real >
> const & 
get_A_all () const
 Give me the matrix A_all_. More...
 
utility::vector1< core::Real >
const & 
get_X_all () const
 Give me the vector X_all_. More...
 
utility::vector1< core::Real >
const & 
get_Y_all () const
 Give me the vector Y_all_. More...
 
utility::vector1< core::Real >
const & 
get_Z_all () const
 Give me the vector Z_all_. More...
 
core::Size where_is_line (PcsInputLine &pcs_i_l)
 Give the index number of the PcsInputLine given. More...
 
void update_X_Y_Z_all (core::pose::Pose const &pose)
 This is called each time the pose is changed. More...
 
void update_matrix_A_all (core::Real const X, core::Real const Y, core::Real const Z)
 Call update_my_A_matrix for all lanthanide data. X Y Z are the new coordinate of the center. More...
 
void update_matrix_A_all_for_svd (core::Real const X, core::Real const Y, core::Real const Z)
 Call update_my_A_matrix for all lanthanide data. X Y Z are the new coordinate of the center It also update individual smaller matrice for svd. More...
 
void update_matrix_A_all_for_cstyle (core::Real const X, core::Real const Y, core::Real const Z)
 
utility::vector1
< PcsDataLanthanide > & 
get_pcs_data_per_lanthanides_all ()
 Give me the vector PCS_data_per_lanthanides_all_. More...
 
const utility::vector1
< PcsInputLine > & 
get_PCS_data_line_all_spin () const
 Give me the vector PCS_data_line_all_spin_. More...
 
const utility::vector1
< PcsDataLanthanide > & 
get_pcs_data_per_lanthanides_all () const
 Give me the vector PCS_data_per_lanthanides_all_ (const version) More...
 

Private Member Functions

void update_matrix_A ()
 
void update_matrix_A_cstyle ()
 

Private Attributes

core::Size n_lanthanides_
 
core::Size n_pcs_spin_
 
utility::vector1< PcsInputLinePCS_data_line_all_spin_
 
utility::vector1
< PcsDataLanthanide
PCS_data_per_lanthanides_all_
 
utility::vector1
< utility::vector1< core::Real > > 
A_all_
 
utility::vector1< core::RealX_all_
 
utility::vector1< core::RealY_all_
 
utility::vector1< core::RealZ_all_
 

Friends

std::ostream & operator<< (std::ostream &out, const PcsDataCenter &me)
 Print me. More...
 

Constructor & Destructor Documentation

protocols::scoring::methods::pcs2::PcsDataCenter::PcsDataCenter ( )
protocols::scoring::methods::pcs2::PcsDataCenter::~PcsDataCenter ( )
overridedefault
protocols::scoring::methods::pcs2::PcsDataCenter::PcsDataCenter ( PcsDataCenter const &  other)
protocols::scoring::methods::pcs2::PcsDataCenter::PcsDataCenter ( PcsInputCenter pcs_i_c,
core::Size  start,
core::Size  end,
core::Real  individual_scale 
)

Member Function Documentation

const utility::vector1< utility::vector1< core::Real > > & protocols::scoring::methods::pcs2::PcsDataCenter::get_A_all ( ) const
core::Size protocols::scoring::methods::pcs2::PcsDataCenter::get_n_lanthanides ( ) const
const utility::vector1< PcsInputLine > & protocols::scoring::methods::pcs2::PcsDataCenter::get_PCS_data_line_all_spin ( ) const

Give me the vector PCS_data_line_all_spin_.

References PCS_data_line_all_spin_.

Referenced by protocols::scoring::methods::pcs2::PcsEnergy::dump_PCS_info().

utility::vector1< PcsDataLanthanide > & protocols::scoring::methods::pcs2::PcsDataCenter::get_pcs_data_per_lanthanides_all ( )
const utility::vector1< PcsDataLanthanide > & protocols::scoring::methods::pcs2::PcsDataCenter::get_pcs_data_per_lanthanides_all ( ) const

Give me the vector PCS_data_per_lanthanides_all_ (const version)

References PCS_data_per_lanthanides_all_.

const utility::vector1< core::Real > & protocols::scoring::methods::pcs2::PcsDataCenter::get_X_all ( ) const
const utility::vector1< core::Real > & protocols::scoring::methods::pcs2::PcsDataCenter::get_Y_all ( ) const
const utility::vector1< core::Real > & protocols::scoring::methods::pcs2::PcsDataCenter::get_Z_all ( ) const
PcsDataCenter & protocols::scoring::methods::pcs2::PcsDataCenter::operator= ( PcsDataCenter const &  src)
void protocols::scoring::methods::pcs2::PcsDataCenter::update_matrix_A ( )
private
void protocols::scoring::methods::pcs2::PcsDataCenter::update_matrix_A_all ( core::Real const  X,
core::Real const  Y,
core::Real const  Z 
)

Call update_my_A_matrix for all lanthanide data. X Y Z are the new coordinate of the center.

References A_all_, protocols::scoring::methods::pcs2::fill_A_line_slow(), n_pcs_spin_, X_all_, Y_all_, and Z_all_.

Referenced by protocols::scoring::methods::pcs2::TensorsOptimizer::func().

void protocols::scoring::methods::pcs2::PcsDataCenter::update_matrix_A_all_for_cstyle ( core::Real const  X,
core::Real const  Y,
core::Real const  Z 
)
void protocols::scoring::methods::pcs2::PcsDataCenter::update_matrix_A_all_for_svd ( core::Real const  X,
core::Real const  Y,
core::Real const  Z 
)

Call update_my_A_matrix for all lanthanide data. X Y Z are the new coordinate of the center It also update individual smaller matrice for svd.

References A_all_, protocols::scoring::methods::pcs2::fill_A_line_slow(), n_pcs_spin_, update_matrix_A(), X_all_, Y_all_, and Z_all_.

Referenced by protocols::scoring::methods::pcs2::PcsEnergy::CA_search_scores_and_tensors(), and protocols::scoring::methods::pcs2::TensorsOptimizerSvd::func().

void protocols::scoring::methods::pcs2::PcsDataCenter::update_matrix_A_cstyle ( )
private
void protocols::scoring::methods::pcs2::PcsDataCenter::update_X_Y_Z_all ( core::pose::Pose const &  pose)
core::Size protocols::scoring::methods::pcs2::PcsDataCenter::where_is_line ( PcsInputLine pcs_i_l)

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  out,
const PcsDataCenter me 
)
friend

Print me.

Member Data Documentation

utility::vector1< utility::vector1<core::Real> > protocols::scoring::methods::pcs2::PcsDataCenter::A_all_
private
core::Size protocols::scoring::methods::pcs2::PcsDataCenter::n_lanthanides_
private
core::Size protocols::scoring::methods::pcs2::PcsDataCenter::n_pcs_spin_
private
utility::vector1<PcsInputLine> protocols::scoring::methods::pcs2::PcsDataCenter::PCS_data_line_all_spin_
private
utility::vector1<PcsDataLanthanide> protocols::scoring::methods::pcs2::PcsDataCenter::PCS_data_per_lanthanides_all_
private
utility::vector1<core::Real> protocols::scoring::methods::pcs2::PcsDataCenter::X_all_
private
utility::vector1<core::Real> protocols::scoring::methods::pcs2::PcsDataCenter::Y_all_
private
utility::vector1<core::Real> protocols::scoring::methods::pcs2::PcsDataCenter::Z_all_
private

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