#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

Real &	CSAcomputed ()

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_

Referenced by core::scoring::ChemicalShiftAnisotropy::compute_csascore(), and f1ij().

core::Vector core::scoring::CSA::f2ij_

Referenced by core::scoring::ChemicalShiftAnisotropy::compute_csascore(), and f2ij().

core::Vector core::scoring::CSA::f3ij_

Referenced by core::scoring::ChemicalShiftAnisotropy::compute_csascore(), and 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:

src/core/scoring/ChemicalShiftAnisotropy.hh
src/core/scoring/ChemicalShiftAnisotropy.cc

Public Member Functions

Public Attributes

Private Attributes

Friends

Constructor & Destructor Documentation

Member Function Documentation

Friends And Related Function Documentation

Member Data Documentation