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core::scoring::nmr::pre::PRESingle Class Reference

#include <PRESingle.hh>

Public Member Functions

 PRESingle ()
 default constructor More...
 
 PRESingle (utility::vector1< core::io::nmr::AtomSelection > const &spins, pose::Pose const &pose, Real const pre_exp, Real const pre_err)
 constructor with arguments More...
 
 PRESingle (PRESingle const &other)
 copy constructor More...
 
PRESingleoperator= (PRESingle const &rhs)
 assignment operator More...
 
 ~PRESingle ()
 destructor More...
 
utility::json_spirit::Value serialize () const
 serialize a PRESingle object to a json_spirit object More...
 
void deserialize (utility::json_spirit::mObject data)
 deserialize a json_spirit object to a PRESingle object More...
 
utility::vector1< id::AtomID >
const & 
get_protein_spins () const
 
Real get_pre_exp () const
 
Real get_pre_err () const
 
Real get_pre_calc () const
 
Real get_weight () const
 
utility::vector1< Vector > const & get_atom_derivatives () const
 
PRE_SPIN_TYPE get_pre_spin_type () const
 
void set_pre_exp (Real pre)
 
void set_pre_err (Real err)
 
void set_pre_calc (Real calc)
 
void set_weight (Real weight)
 
void set_atom_derivatives (Size index, Real fdx, Real fdy, Real fdz)
 
void show (std::ostream &TR) const
 

Private Attributes

utility::vector1< id::AtomIDprotein_spins_
 
Real pre_exp_
 
Real pre_err_
 
Real pre_calc_
 
Real weight_
 
utility::vector1< Vectoratom_derivatives_
 
PRE_SPIN_TYPE pre_type_
 

Friends

bool operator== (PRESingle const &lhs, PRESingle const &rhs)
 
bool operator!= (PRESingle const &lhs, PRESingle const &rhs)
 

Constructor & Destructor Documentation

core::scoring::nmr::pre::PRESingle::PRESingle ( )

default constructor

core::scoring::nmr::pre::PRESingle::PRESingle ( utility::vector1< core::io::nmr::AtomSelection > const &  spins,
pose::Pose const &  pose,
Real const  pre_exp,
Real const  pre_err 
)
core::scoring::nmr::pre::PRESingle::PRESingle ( PRESingle const &  other)

copy constructor

core::scoring::nmr::pre::PRESingle::~PRESingle ( )

destructor

Member Function Documentation

void core::scoring::nmr::pre::PRESingle::deserialize ( utility::json_spirit::mObject  data)

deserialize a json_spirit object to a PRESingle object

References atom_derivatives_, core::id::AtomID::deserialize(), pre_calc_, pre_err_, pre_exp_, protein_spins_, and weight_.

utility::vector1< Vector > const& core::scoring::nmr::pre::PRESingle::get_atom_derivatives ( ) const
inline

References atom_derivatives_.

Real core::scoring::nmr::pre::PRESingle::get_pre_calc ( ) const
inline

References pre_calc_.

Real core::scoring::nmr::pre::PRESingle::get_pre_err ( ) const
inline

References pre_err_.

Real core::scoring::nmr::pre::PRESingle::get_pre_exp ( ) const
inline

References pre_exp_.

PRE_SPIN_TYPE core::scoring::nmr::pre::PRESingle::get_pre_spin_type ( ) const
inline

References pre_type_.

utility::vector1< id::AtomID > const& core::scoring::nmr::pre::PRESingle::get_protein_spins ( ) const
inline
Real core::scoring::nmr::pre::PRESingle::get_weight ( ) const
inline

References weight_.

PRESingle & core::scoring::nmr::pre::PRESingle::operator= ( PRESingle const &  rhs)

assignment operator

References atom_derivatives_, pre_calc_, pre_err_, pre_exp_, pre_type_, protein_spins_, and weight_.

utility::json_spirit::Value core::scoring::nmr::pre::PRESingle::serialize ( ) const

serialize a PRESingle object to a json_spirit object

References atom_derivatives_, pre_calc_, pre_err_, pre_exp_, protein_spins_, and weight_.

void core::scoring::nmr::pre::PRESingle::set_atom_derivatives ( Size  index,
Real  fdx,
Real  fdy,
Real  fdz 
)
inline

References atom_derivatives_.

void core::scoring::nmr::pre::PRESingle::set_pre_calc ( Real  calc)
inline

References pre_calc_.

void core::scoring::nmr::pre::PRESingle::set_pre_err ( Real  err)
inline

References pre_err_.

void core::scoring::nmr::pre::PRESingle::set_pre_exp ( Real  pre)
inline

References pre_exp_.

void core::scoring::nmr::pre::PRESingle::set_weight ( Real  weight)
inline

References weight_.

void core::scoring::nmr::pre::PRESingle::show ( std::ostream &  TR) const

References pre_err_, pre_exp_, and protein_spins_.

Friends And Related Function Documentation

bool operator!= ( PRESingle const &  lhs,
PRESingle const &  rhs 
)
friend
bool operator== ( PRESingle const &  lhs,
PRESingle const &  rhs 
)
friend

Member Data Documentation

utility::vector1< Vector > core::scoring::nmr::pre::PRESingle::atom_derivatives_
private
Real core::scoring::nmr::pre::PRESingle::pre_calc_
private
Real core::scoring::nmr::pre::PRESingle::pre_err_
private
Real core::scoring::nmr::pre::PRESingle::pre_exp_
private
PRE_SPIN_TYPE core::scoring::nmr::pre::PRESingle::pre_type_
private
utility::vector1<id::AtomID> core::scoring::nmr::pre::PRESingle::protein_spins_
private
Real core::scoring::nmr::pre::PRESingle::weight_
private

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