protocols::fldsgn::potentials::AACompositionEnergy Class Reference

AACompositionEnergy. More...

#include <AACompositionEnergy.hh>

Public Types
typedef core::scoring::methods::ContextDependentOneBodyEnergy	parent
typedef core::chemical::AA	AA
typedef core::conformation::Residue	Residue
typedef core::Real	Real
typedef core::pose::Pose	Pose
typedef core::scoring::EnergyMap	EnergyMap
typedef core::scoring::ScoreFunction	ScoreFunction
typedef core::scoring::ScoreTypes	ScoreTypes
typedef core::scoring::methods::EnergyMethodOP	EnergyMethodOP

Public Member Functions
	AACompositionEnergy ()
	default constructor More...
	AACompositionEnergy (std::map< AA, std::pair< Real, Real > > const &comp_constraint_aas)
	value constructor More...
	AACompositionEnergy (AACompositionEnergy const &src)
	copy constructor More...
virtual	~AACompositionEnergy ()
	destructor More...
virtual EnergyMethodOP	clone () const
	clone More...
void	set_comp_constraint_aa (std::map< AA, std::pair< Real, Real > > const &comp_constraint_aas)
	use GoPotential More...
virtual void	residue_energy (Residue const &rsd, Pose const &pose, EnergyMap &emap) const
virtual void	indicate_required_context_graphs (utility::vector1< bool > &) const
	scoring More...
virtual Size	version () const

Private Member Functions
void	initialize ()

Private Attributes
std::map< AA, std::pair< Real, Real > >	comp_constraint_aas_

Detailed Description

AACompositionEnergy.

Member Typedef Documentation

typedef core::chemical::AA protocols::fldsgn::potentials::AACompositionEnergy::AA

typedef core::scoring::EnergyMap protocols::fldsgn::potentials::AACompositionEnergy::EnergyMap

typedef core::scoring::methods::EnergyMethodOP protocols::fldsgn::potentials::AACompositionEnergy::EnergyMethodOP

typedef core::scoring::methods::ContextDependentOneBodyEnergy protocols::fldsgn::potentials::AACompositionEnergy::parent

typedef core::pose::Pose protocols::fldsgn::potentials::AACompositionEnergy::Pose

typedef core::Real protocols::fldsgn::potentials::AACompositionEnergy::Real

typedef core::conformation::Residue protocols::fldsgn::potentials::AACompositionEnergy::Residue

typedef core::scoring::ScoreFunction protocols::fldsgn::potentials::AACompositionEnergy::ScoreFunction

typedef core::scoring::ScoreTypes protocols::fldsgn::potentials::AACompositionEnergy::ScoreTypes

Constructor & Destructor Documentation

protocols::fldsgn::potentials::AACompositionEnergy::AACompositionEnergy

(

)

default constructor

Referenced by clone().

protocols::fldsgn::potentials::AACompositionEnergy::AACompositionEnergy

(

std::map< AA, std::pair< Real, Real > > const &

comp_constraint_aas

)

value constructor

default constructor

References initialize().

protocols::fldsgn::potentials::AACompositionEnergy::AACompositionEnergy

(

AACompositionEnergy const &

src

)

copy constructor

protocols::fldsgn::potentials::AACompositionEnergy::~AACompositionEnergy ( )

virtual

destructor

Member Function Documentation

AACompositionEnergy::EnergyMethodOP protocols::fldsgn::potentials::AACompositionEnergy::clone ( ) const

virtual

clone

References AACompositionEnergy().

void protocols::fldsgn::potentials::AACompositionEnergy::indicate_required_context_graphs ( utility::vector1< bool > &  ) const

virtual

scoring

ReferenceEnergy is context independent; indicates that no context graphs are required.

scoring DunbrackEnergy is context independent; indicates that no context graphs are required

void protocols::fldsgn::potentials::AACompositionEnergy::initialize ( )

private

Referenced by AACompositionEnergy(), and set_comp_constraint_aa().

void protocols::fldsgn::potentials::AACompositionEnergy::residue_energy ( Residue const &  rsd, Pose const &  pose, EnergyMap &  emap  ) const

virtual

Implements core::scoring::methods::ContextDependentOneBodyEnergy.

References core::pose::Pose::aa(), core::conformation::Residue::aa(), core::scoring::aa_cmp, comp_constraint_aas_, core::chemical::num_aa_types, protocols::noesy_assign::round(), core::conformation::Residue::seqpos(), numeric::square(), and core::pose::Pose::total_residue().

void protocols::fldsgn::potentials::AACompositionEnergy::set_comp_constraint_aa

(

std::map< AA, std::pair< Real, Real > > const &

comp_constraint_aas

)

use GoPotential

References comp_constraint_aas_, and initialize().

virtual Size protocols::fldsgn::potentials::AACompositionEnergy::version ( ) const

inlinevirtual

Member Data Documentation

std::map< AA, std::pair< Real, Real > > protocols::fldsgn::potentials::AACompositionEnergy::comp_constraint_aas_

private

Referenced by residue_energy(), and set_comp_constraint_aa().

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

• symlinks/rosetta/src/protocols/fldsgn/potentials/AACompositionEnergy.hh
• symlinks/rosetta/src/protocols/fldsgn/potentials/AACompositionEnergy.cc