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

AACompositionEnergy. More...

#include <AACompositionEnergy.hh>

Inheritance diagram for protocols::fldsgn::potentials::AACompositionEnergy:

Collaboration diagram for protocols::fldsgn::potentials::AACompositionEnergy:

List of all members.

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
	AACompositionEnergy (std::map< AA, std::pair< Real, Real > > const &comp_constraint_aas)
	value constructor
	AACompositionEnergy (AACompositionEnergy const &src)
	copy constructor
virtual	~AACompositionEnergy ()
	destructor
virtual EnergyMethodOP	clone () const
	clone
void	set_comp_constraint_aa (std::map< AA, std::pair< Real, Real > > const &comp_constraint_aas)
	use GoPotential
virtual void	residue_energy (Residue const &rsd, Pose const &pose, EnergyMap &emap) const
	Evaluate the one-body energies for a particular residue, in the context of a given Pose, and increment those energies in the input Emap (do not overwrite them).
virtual void	indicate_required_context_graphs (utility::vector1< bool > &) const
	scoring
virtual Size	version () const
	Return the version of the energy method.

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Detailed Description

AACompositionEnergy.

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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

Reimplemented from core::scoring::methods::ContextDependentOneBodyEnergy.

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

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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

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

(

AACompositionEnergy const &

src

)

copy constructor

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

(

)

[virtual]

destructor

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Member Function Documentation

AACompositionEnergy::EnergyMethodOP protocols::fldsgn::potentials::AACompositionEnergy::clone

(

)

const [virtual]

clone

Implements core::scoring::methods::EnergyMethod.

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

Implements core::scoring::methods::EnergyMethod.

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

Evaluate the one-body energies for a particular residue, in the context of a given Pose, and increment those energies in the input Emap (do not overwrite them).

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

References core::conformation::Residue::aa(), core::pose::Pose::aa(), core::scoring::aa_cmp, core::chemical::num_aa_types, core::conformation::Residue::seqpos(), core::scoring::electron_density::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

virtual Size protocols::fldsgn::potentials::AACompositionEnergy::version

(

)

const [inline, virtual]

Return the version of the energy method.

Implements core::scoring::methods::EnergyMethod.

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

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