core::scoring::methods::P_AA_Energy Class Reference

#include <P_AA_Energy.hh>

Inheritance diagram for core::scoring::methods::P_AA_Energy:

Collaboration diagram for core::scoring::methods::P_AA_Energy:

List of all members.

Public Types
typedef ContextIndependentOneBodyEnergy	parent
Public Member Functions
	P_AA_Energy ()
virtual EnergyMethodOP	clone () const
virtual void	residue_energy (conformation::Residue const &rsd, pose::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 Real	eval_dof_derivative (id::DOF_ID const &dof_id, id::TorsionID const &tor_id, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap const &weights) const
virtual void	indicate_required_context_graphs (utility::vector1< bool > &) const
	P_AA_Energy is context independent; indicates that no context graphs are required.

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Member Typedef Documentation

typedef ContextIndependentOneBodyEnergy core::scoring::methods::P_AA_Energy::parent

Reimplemented from core::scoring::methods::ContextIndependentOneBodyEnergy.

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Constructor & Destructor Documentation

core::scoring::methods::P_AA_Energy::P_AA_Energy

(

)

Remarks:

get_P_AA calls a method in ScoringManager which create a new object of type P_AA. The constructor for that created object reads in the three database files: p_aa, p_aa_pp, and p_aa_n. That object is returned and then stored as a private member variable here.

Referenced by clone().

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Member Function Documentation

EnergyMethodOP core::scoring::methods::P_AA_Energy::clone

(

)

const [virtual]

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

References P_AA_Energy().

Real core::scoring::methods::P_AA_Energy::eval_dof_derivative	(	id::DOF_ID const &	dof_id,
		id::TorsionID const &	tor_id,
		pose::Pose const &	pose,
		ScoreFunction const &	sfxn,
		EnergyMap const &	weights
	)		const [virtual]

Remarks:

no DOF to vary for P_AA, so just return 0.0 like the reference energy does

void core::scoring::methods::P_AA_Energy::indicate_required_context_graphs

(

utility::vector1< bool > &

)

const [virtual]

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

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

void core::scoring::methods::P_AA_Energy::residue_energy	(	conformation::Residue const &	rsd,
		pose::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::ContextIndependentOneBodyEnergy.

References core::scoring::p_aa, and core::scoring::P_AA::P_AA_energy().

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

• src/core/scoring/methods/P_AA_Energy.hh
• src/core/scoring/methods/P_AA_Energy.cc