Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Private Member Functions | Private Attributes | Friends | List of all members
protocols::scoring::methods::pcs::PCS_data Class Reference

#include <PseudocontactShiftData.hh>

Inheritance diagram for protocols::scoring::methods::pcs::PCS_data:
Inheritance graph
[legend]

Public Member Functions

 PCS_data ()=delete
 
 PCS_data (PCS_data_input &P_d_i)
 
 PCS_data (PCS_data_input &P_d_i, utility::vector1< bool > const exclude_residues)
 
basic::datacache::CacheableDataOP clone () const override
 
core::Size get_n_lanthanides () const
 
utility::vector1< core::Real >
const & 
get_X_all () const
 
utility::vector1< core::Real >
const & 
get_Y_all () const
 
utility::vector1< core::Real >
const & 
get_Z_all () const
 
core::Size where_is_line (PCS_line_data &P_l_d)
 
void update_X_Y_Z_all (core::pose::Pose const &pose)
 
void update_matrix_A_all (core::Real const X, core::Real const Y, core::Real const Z)
 
utility::vector1
< PCS_data_per_lanthanides > & 
get_pcs_data_per_lanthanides_all ()
 
const utility::vector1
< PCS_line_data > & 
get_PCS_data_line_all_spin () const
 
const utility::vector1
< PCS_data_per_lanthanides > & 
get_pcs_data_per_lanthanides_all () const
 

Private Member Functions

void update_matrix_A ()
 

Private Attributes

core::Size n_lanthanides_
 
core::Size n_pcs_spin_
 
utility::vector1< PCS_line_dataPCS_data_line_all_spin_
 
utility::vector1
< PCS_data_per_lanthanides
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 PCS_data &P_d)
 

Constructor & Destructor Documentation

protocols::scoring::methods::pcs::PCS_data::PCS_data ( )
delete
protocols::scoring::methods::pcs::PCS_data::PCS_data ( PCS_data_input P_d_i)
protocols::scoring::methods::pcs::PCS_data::PCS_data ( PCS_data_input P_d_i,
utility::vector1< bool > const  exclude_residues 
)

Member Function Documentation

basic::datacache::CacheableDataOP protocols::scoring::methods::pcs::PCS_data::clone ( ) const
override
core::Size protocols::scoring::methods::pcs::PCS_data::get_n_lanthanides ( ) const
const utility::vector1< PCS_line_data > & protocols::scoring::methods::pcs::PCS_data::get_PCS_data_line_all_spin ( ) const
utility::vector1< PCS_data_per_lanthanides > & protocols::scoring::methods::pcs::PCS_data::get_pcs_data_per_lanthanides_all ( )
const utility::vector1< PCS_data_per_lanthanides > & protocols::scoring::methods::pcs::PCS_data::get_pcs_data_per_lanthanides_all ( ) const
const utility::vector1< core::Real > & protocols::scoring::methods::pcs::PCS_data::get_X_all ( ) const
const utility::vector1< core::Real > & protocols::scoring::methods::pcs::PCS_data::get_Y_all ( ) const
const utility::vector1< core::Real > & protocols::scoring::methods::pcs::PCS_data::get_Z_all ( ) const
void protocols::scoring::methods::pcs::PCS_data::update_matrix_A ( )
private
void protocols::scoring::methods::pcs::PCS_data::update_matrix_A_all ( core::Real const  X,
core::Real const  Y,
core::Real const  Z 
)
void protocols::scoring::methods::pcs::PCS_data::update_X_Y_Z_all ( core::pose::Pose const &  pose)
core::Size protocols::scoring::methods::pcs::PCS_data::where_is_line ( PCS_line_data P_l_d)

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  out,
const PCS_data P_d 
)
friend

Member Data Documentation

utility::vector1< utility::vector1<core::Real> > protocols::scoring::methods::pcs::PCS_data::A_all_
private
core::Size protocols::scoring::methods::pcs::PCS_data::n_lanthanides_
private
core::Size protocols::scoring::methods::pcs::PCS_data::n_pcs_spin_
private
utility::vector1<PCS_line_data> protocols::scoring::methods::pcs::PCS_data::PCS_data_line_all_spin_
private
utility::vector1<PCS_data_per_lanthanides> protocols::scoring::methods::pcs::PCS_data::PCS_data_per_lanthanides_all_
private
utility::vector1<core::Real> protocols::scoring::methods::pcs::PCS_data::X_all_
private
utility::vector1<core::Real> protocols::scoring::methods::pcs::PCS_data::Y_all_
private
utility::vector1<core::Real> protocols::scoring::methods::pcs::PCS_data::Z_all_
private

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