core::scoring::DC Class Reference

#include <DipolarCoupling.hh>

Public Types
enum	DC_TYPE { DC_TYPE_NH = 1 , DC_TYPE_NC , DC_TYPE_CH , DC_TYPE_CC }

Public Member Functions
	DC ()
	DC (Size res1, std::string const &atom1, Size res2, std::string const &atom2, Real DCval, Real DCerr, Real weight)
DC_TYPE	type () const
DC_TYPE	get_DC_data_type (std::string const &atom1, std::string const &atom2)
Size	res1 () const
Size	res2 () const
std::string const &	atom1 () const
std::string const &	atom2 () const
Real	DCval () const
Real	DCerr () const
Real const &	DCcomputed () const
Real &	DCcomputed ()
Vector	f1ij () const
Vector	f2ij () const
Real	weight () const
void	set_weight (Real w_in)
Real	Dconst () const
void	show (std::ostream &) const

Public Attributes
Real	DCval_computed_
core::Vector	f1ij_
core::Vector	f2ij_

Private Attributes
DC_TYPE	type_
Size	res1_
Size	res2_
std::string	atom1_
std::string	atom2_
Real	DCval_
Real	DCerr_
Real	weight_

Friends
class	DipolarCoupling

Member Enumeration Documentation

DC_TYPE

enum core::scoring::DC::DC_TYPE

Enumerator
DC_TYPE_NH
DC_TYPE_NC
DC_TYPE_CH
DC_TYPE_CC

Constructor & Destructor Documentation

DC() [1/2]

core::scoring::DC::DC ( )

inline

DC() [2/2]

core::scoring::DC::DC ( Size  res1, std::string const &  atom1, Size  res2, std::string const &  atom2, Real  DCval, Real  DCerr, Real  weight  )

inline

Member Function Documentation

atom1()

std::string const& core::scoring::DC::atom1 ( ) const

inline

References atom1_.

Referenced by core::energy_methods::DipolarCouplingEnergy::eval_atom_derivative().

atom2()

std::string const& core::scoring::DC::atom2 ( ) const

inline

References atom2_.

Referenced by core::energy_methods::DipolarCouplingEnergy::eval_atom_derivative().

DCcomputed() [1/2]

Real& core::scoring::DC::DCcomputed ( )

inline

References DCval_computed_.

DCcomputed() [2/2]

Real const& core::scoring::DC::DCcomputed ( ) const

inline

References DCval_computed_.

DCerr()

Real core::scoring::DC::DCerr ( ) const

inline

References DCerr_.

Dconst()

Real core::scoring::DC::Dconst ( ) const

inline

References DC_TYPE_CC, DC_TYPE_CH, DC_TYPE_NC, DC_TYPE_NH, and type().

DCval()

Real core::scoring::DC::DCval ( ) const

inline

References DCval_.

f1ij()

Vector core::scoring::DC::f1ij ( ) const

inline

References f1ij_.

Referenced by core::energy_methods::DipolarCouplingEnergy::eval_atom_derivative().

f2ij()

Vector core::scoring::DC::f2ij ( ) const

inline

References f2ij_.

Referenced by core::energy_methods::DipolarCouplingEnergy::eval_atom_derivative().

get_DC_data_type()

DC::DC_TYPE core::scoring::DC::get_DC_data_type	(	std::string const &	atom1,
		std::string const &	atom2
	)

References core::scoring::element_string_dc().

res1()

Size core::scoring::DC::res1 ( ) const

inline

References res1_.

Referenced by core::energy_methods::DipolarCouplingEnergy::eval_atom_derivative().

res2()

Size core::scoring::DC::res2 ( ) const

inline

References res2_.

Referenced by core::energy_methods::DipolarCouplingEnergy::eval_atom_derivative().

set_weight()

void core::scoring::DC::set_weight ( Real  w_in )

inline

References weight_.

show()

void core::scoring::DC::show

(

std::ostream &

out

)

const

References DCval_, core::conformation::membrane::out, and res1_.

type()

DC_TYPE core::scoring::DC::type ( ) const

inline

References type_.

Referenced by Dconst().

weight()

Real core::scoring::DC::weight ( ) const

inline

References weight_.

Friends And Related Function Documentation

DipolarCoupling

friend class DipolarCoupling

friend

Member Data Documentation

atom1_

std::string core::scoring::DC::atom1_

private

Referenced by atom1().

atom2_

std::string core::scoring::DC::atom2_

private

Referenced by atom2().

DCerr_

Real core::scoring::DC::DCerr_

private

Referenced by DCerr().

DCval_

Real core::scoring::DC::DCval_

private

Referenced by DCval(), and show().

DCval_computed_

Real core::scoring::DC::DCval_computed_

Referenced by DCcomputed().

f1ij_

core::Vector core::scoring::DC::f1ij_

Referenced by f1ij().

f2ij_

core::Vector core::scoring::DC::f2ij_

Referenced by f2ij().

res1_

Size core::scoring::DC::res1_

private

Referenced by res1(), and show().

res2_

Size core::scoring::DC::res2_

private

Referenced by res2().

type_

DC_TYPE core::scoring::DC::type_

private

Referenced by type().

weight_

Real core::scoring::DC::weight_

private

Referenced by set_weight(), and weight().

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

• src/core/scoring/DipolarCoupling.hh
• src/core/scoring/DipolarCoupling.cc