core::scoring::etable::EtableEnergy Class Reference

#include <EtableEnergy.hh>

Inheritance diagram for core::scoring::etable::EtableEnergy:

Collaboration diagram for core::scoring::etable::EtableEnergy:

List of all members.

Public Types
typedef BaseEtableEnergy < EtableEnergy >	parent
Public Member Functions
	EtableEnergy (Etable const &etable_in, methods::EnergyMethodOptions const &options)
	construction with an etable
EnergyMethodOP	clone () const
	clone
void	setup_for_scoring_ (pose::Pose const &pose, scoring::ScoreFunction const &) const
virtual bool	defines_intrares_energy (EnergyMap const &) const
	Two body energies are able to define intra-residue energies, and to do so only in the presence of certain non-zero weights. The ScoreFunction will hand over its weight set as it asks whether the energy method defines an intraresidue energy or not.
virtual void	eval_intrares_energy (conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const
	Evaluate the intra-residue energy for a given residue.
void	derived_prepare_for_residue_pair (Size const res1, Size const res2, pose::Pose const &) const
	decide between intra and interresidue score terms. Pseudo polymorphic call from base class

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Member Typedef Documentation

typedef BaseEtableEnergy< EtableEnergy > core::scoring::etable::EtableEnergy::parent

Reimplemented from core::scoring::methods::ContextIndependentTwoBodyEnergy.

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Constructor & Destructor Documentation

core::scoring::etable::EtableEnergy::EtableEnergy	(	Etable const &	etable_in,
		methods::EnergyMethodOptions const &	options
	)

construction with an etable

Referenced by clone().

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Member Function Documentation

EnergyMethodOP core::scoring::etable::EtableEnergy::clone

(

)

const [inline, virtual]

clone

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

References EtableEnergy().

bool core::scoring::etable::EtableEnergy::defines_intrares_energy

(

EnergyMap const &

weights

)

const [virtual]

Two body energies are able to define intra-residue energies, and to do so only in the presence of certain non-zero weights. The ScoreFunction will hand over its weight set as it asks whether the energy method defines an intraresidue energy or not.

For example, the Etable method defines intra-residue energies only when one or more of the fa_intra_{atr,rep,sol} weights are non-zero.

Implements core::scoring::methods::TwoBodyEnergy.

References core::scoring::fa_intra_atr, core::scoring::fa_intra_rep, and core::scoring::fa_intra_sol.

void core::scoring::etable::EtableEnergy::derived_prepare_for_residue_pair	(	Size const	res1,
		Size const	res2,
		pose::Pose const &
	)		const [inline]

decide between intra and interresidue score terms. Pseudo polymorphic call from base class

Reimplemented from core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

References core::scoring::fa_atr, core::scoring::fa_intra_atr, core::scoring::fa_intra_rep, core::scoring::fa_intra_sol, core::scoring::fa_rep, core::scoring::fa_sol, core::scoring::etable::BaseEtableEnergy< EtableEnergy >::rep_scoretype(), and core::scoring::etable::BaseEtableEnergy< EtableEnergy >::set_scoretypes().

void core::scoring::etable::EtableEnergy::eval_intrares_energy	(	conformation::Residue const &	rsd,
		pose::Pose const &	pose,
		ScoreFunction const &	sfxn,
		EnergyMap &	emap
	)		const [virtual]

Evaluate the intra-residue energy for a given residue.

Implements core::scoring::methods::TwoBodyEnergy.

References core::pose::Pose::energies(), core::scoring::fa_intra_atr, core::scoring::fa_intra_rep, core::scoring::fa_intra_sol, core::scoring::etable::BaseEtableEnergy< EtableEnergy >::get_intrares_countpair(), core::conformation::Residue::has_variant_type(), core::scoring::etable::BaseEtableEnergy< EtableEnergy >::rep_scoretype(), core::scoring::etable::BaseEtableEnergy< EtableEnergy >::set_scoretypes(), and core::scoring::Energies::use_nblist().

void core::scoring::etable::EtableEnergy::setup_for_scoring_	(	pose::Pose const &	pose,
		scoring::ScoreFunction const &
	)		const

References core::scoring::etable::Etable::atom_set(), core::chemical::ResidueType::atom_type_set_ptr(), core::scoring::etable::BaseEtableEnergy< EtableEnergy >::etable_, core::pose::Pose::residue(), core::pose::Pose::total_residue(), and core::conformation::Residue::type().

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

• src/core/scoring/etable/EtableEnergy.hh
• src/core/scoring/etable/EtableEnergy.cc