Rosetta Core  2014.35
Public Member Functions | Public Attributes | Private Attributes | Friends | List of all members
core::scoring::CSA Class Reference

#include <ChemicalShiftAnisotropy.hh>

Public Member Functions

 CSA ()
 
 CSA (Size res1, std::string const &atom1, Real sigma1, Real sigma2, Real sigma3, Real CSAval, Real CSAerr, Real weight)
 
Size res1 () const
 
Size res2 () const
 
Size res3 () const
 
std::string const & atom1 () const
 
std::string const & atom2 () const
 
std::string const & atom3 () const
 
Real sigma1 () const
 
Real sigma2 () const
 
Real sigma3 () const
 
Real alpha () const
 
Real beta () const
 
Real gamma () const
 
Real CSAval () const
 
Real CSAerr () const
 
Real const & CSAcomputed () const
 
RealCSAcomputed ()
 
Vector f1ij () const
 
Vector f2ij () const
 
Vector f3ij () const
 
Real weight () const
 
void set_weight (Real w_in)
 
void show (std::ostream &) const
 

Public Attributes

Real CSAval_computed_
 
core::Vector f1ij_
 
core::Vector f2ij_
 
core::Vector f3ij_
 

Private Attributes

Size res1_
 
Size res2_
 
Size res3_
 
std::string atom1_
 
std::string atom2_
 
std::string atom3_
 
Real sigma1_
 
Real sigma2_
 
Real sigma3_
 
Real alpha_
 
Real beta_
 
Real gamma_
 
Real CSAval_
 
Real CSAerr_
 
Real weight_
 

Friends

class ChemicalShiftAnisotropy
 

Constructor & Destructor Documentation

core::scoring::CSA::CSA ( )
inline
core::scoring::CSA::CSA ( Size  res1,
std::string const &  atom1,
Real  sigma1,
Real  sigma2,
Real  sigma3,
Real  CSAval,
Real  CSAerr,
Real  weight 
)
inline

Member Function Documentation

Real core::scoring::CSA::alpha ( ) const
inline

References alpha_.

std::string const& core::scoring::CSA::atom1 ( ) const
inline

References atom1_.

std::string const& core::scoring::CSA::atom2 ( ) const
inline

References atom2_.

std::string const& core::scoring::CSA::atom3 ( ) const
inline

References atom3_.

Real core::scoring::CSA::beta ( ) const
inline

References beta_.

Real const& core::scoring::CSA::CSAcomputed ( ) const
inline

References CSAval_computed_.

Real& core::scoring::CSA::CSAcomputed ( )
inline

References CSAval_computed_.

Real core::scoring::CSA::CSAerr ( ) const
inline

References CSAerr_.

Real core::scoring::CSA::CSAval ( ) const
inline

References CSAval_.

Vector core::scoring::CSA::f1ij ( ) const
inline

References f1ij_.

Vector core::scoring::CSA::f2ij ( ) const
inline

References f2ij_.

Vector core::scoring::CSA::f3ij ( ) const
inline

References f3ij_.

Real core::scoring::CSA::gamma ( ) const
inline

References gamma_.

Size core::scoring::CSA::res1 ( ) const
inline

References res1_.

Size core::scoring::CSA::res2 ( ) const
inline

References res2_.

Size core::scoring::CSA::res3 ( ) const
inline

References res3_.

void core::scoring::CSA::set_weight ( Real  w_in)
inline

References weight_.

void core::scoring::CSA::show ( std::ostream &  out) const

References CSAval_, and res1_.

Referenced by core::scoring::operator<<().

Real core::scoring::CSA::sigma1 ( ) const
inline

References sigma1_.

Real core::scoring::CSA::sigma2 ( ) const
inline

References sigma2_.

Real core::scoring::CSA::sigma3 ( ) const
inline

References sigma3_.

Real core::scoring::CSA::weight ( ) const
inline

References weight_.

Friends And Related Function Documentation

friend class ChemicalShiftAnisotropy
friend

Member Data Documentation

Real core::scoring::CSA::alpha_
private

Referenced by alpha().

std::string core::scoring::CSA::atom1_
private

Referenced by atom1().

std::string core::scoring::CSA::atom2_
private

Referenced by atom2().

std::string core::scoring::CSA::atom3_
private

Referenced by atom3().

Real core::scoring::CSA::beta_
private

Referenced by beta().

Real core::scoring::CSA::CSAerr_
private

Referenced by CSAerr().

Real core::scoring::CSA::CSAval_
private

Referenced by CSAval(), and show().

Real core::scoring::CSA::CSAval_computed_

Referenced by CSAcomputed().

core::Vector core::scoring::CSA::f1ij_
core::Vector core::scoring::CSA::f2ij_
core::Vector core::scoring::CSA::f3ij_
Real core::scoring::CSA::gamma_
private

Referenced by gamma().

Size core::scoring::CSA::res1_
private

Referenced by res1(), and show().

Size core::scoring::CSA::res2_
private

Referenced by res2().

Size core::scoring::CSA::res3_
private

Referenced by res3().

Real core::scoring::CSA::sigma1_
private

Referenced by sigma1().

Real core::scoring::CSA::sigma2_
private

Referenced by sigma2().

Real core::scoring::CSA::sigma3_
private

Referenced by sigma3().

Real core::scoring::CSA::weight_
private

Referenced by set_weight(), and weight().


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