core::scoring::DC Class Reference

#include <DipolarCoupling.hh>

Collaboration diagram for core::scoring::DC:

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

Detailed Description

Definition at line 96 of file DipolarCoupling.hh.

Member Enumeration Documentation

enum core::scoring::DC::DC_TYPE

Enumerator
DC_TYPE_NH
DC_TYPE_NC
DC_TYPE_CH
DC_TYPE_CC

Definition at line 99 of file DipolarCoupling.hh.

Constructor & Destructor Documentation

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

inline

Definition at line 103 of file DipolarCoupling.hh.

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

inline

Definition at line 113 of file DipolarCoupling.hh.

Member Function Documentation

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

inline

Definition at line 136 of file DipolarCoupling.hh.

References atom1_.

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

inline

Definition at line 140 of file DipolarCoupling.hh.

References atom2_.

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

inline

Definition at line 152 of file DipolarCoupling.hh.

References DCval_computed_.

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

inline

Definition at line 156 of file DipolarCoupling.hh.

References DCval_computed_.

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

inline

Definition at line 148 of file DipolarCoupling.hh.

References DCerr_.

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

inline

Definition at line 179 of file DipolarCoupling.hh.

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

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

inline

Definition at line 144 of file DipolarCoupling.hh.

References DCval_.

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

inline

Definition at line 160 of file DipolarCoupling.hh.

References f1ij_.

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

inline

Definition at line 164 of file DipolarCoupling.hh.

References f2ij_.

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

Definition at line 181 of file DipolarCoupling.cc.

References core::scoring::element_string_dc().

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

inline

Definition at line 128 of file DipolarCoupling.hh.

References res1_.

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

inline

Definition at line 132 of file DipolarCoupling.hh.

References res2_.

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

inline

Definition at line 173 of file DipolarCoupling.hh.

References weight_.

void core::scoring::DC::show

(

std::ostream &

out)

const

Definition at line 99 of file DipolarCoupling.cc.

References DCval_, and res1_.

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

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

inline

Definition at line 122 of file DipolarCoupling.hh.

References type_.

Referenced by Dconst().

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

inline

Definition at line 169 of file DipolarCoupling.hh.

References weight_.

Friends And Related Function Documentation

friend class DipolarCoupling

friend

Definition at line 194 of file DipolarCoupling.hh.

Member Data Documentation

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

private

Definition at line 206 of file DipolarCoupling.hh.

Referenced by atom1().

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

private

Definition at line 206 of file DipolarCoupling.hh.

Referenced by atom2().

Real core::scoring::DC::DCerr_

private

Definition at line 207 of file DipolarCoupling.hh.

Referenced by DCerr().

Real core::scoring::DC::DCval_

private

Definition at line 207 of file DipolarCoupling.hh.

Referenced by DCval(), and show().

Real core::scoring::DC::DCval_computed_

Definition at line 199 of file DipolarCoupling.hh.

Referenced by DCcomputed().

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

Definition at line 200 of file DipolarCoupling.hh.

Referenced by core::scoring::DipolarCoupling::compute_dcscore(), and f1ij().

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

Definition at line 201 of file DipolarCoupling.hh.

Referenced by core::scoring::DipolarCoupling::compute_dcscore(), and f2ij().

Size core::scoring::DC::res1_

private

Definition at line 205 of file DipolarCoupling.hh.

Referenced by res1(), and show().

Size core::scoring::DC::res2_

private

Definition at line 205 of file DipolarCoupling.hh.

Referenced by res2().

DC_TYPE core::scoring::DC::type_

private

Definition at line 204 of file DipolarCoupling.hh.

Referenced by type().

Real core::scoring::DC::weight_

private

Definition at line 208 of file DipolarCoupling.hh.

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