core::scoring::methods::dfire::DFIRE_Energy Class Reference

#include <DFIRE_Energy.hh>

Inheritance diagram for core::scoring::methods::dfire::DFIRE_Energy:

Collaboration diagram for core::scoring::methods::dfire::DFIRE_Energy:

List of all members.

Public Types
typedef ContextIndependentLRTwoBodyEnergy	parent
Public Member Functions
	DFIRE_Energy ()
	ctor
virtual EnergyMethodOP	clone () const
	clone
methods::LongRangeEnergyType	long_range_type () 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 bool	defines_residue_pair_energy (pose::Pose const &pose, Size res1, Size res2) const
virtual void	setup_for_scoring (pose::Pose &pose, ScoreFunction const &) const
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.
virtual void	residue_pair_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const
	Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.
virtual void	residue_energy (conformation::Residue const &rsd, pose::Pose const &pose, EnergyMap &emap) const
virtual void	indicate_required_context_graphs (utility::vector1< bool > &) const
	DFIRE_Energy is context independent and thus indicates that no context graphs are necessary.

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Member Typedef Documentation

typedef ContextIndependentLRTwoBodyEnergy core::scoring::methods::dfire::DFIRE_Energy::parent

Reimplemented from core::scoring::methods::ContextIndependentLRTwoBodyEnergy.

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Constructor & Destructor Documentation

core::scoring::methods::dfire::DFIRE_Energy::DFIRE_Energy

(

)

ctor

References core::scoring::methods::dfire::get_DFIRE_potential(), and core::scoring::methods::dfire::DFIRE_Potential::is_loaded().

Referenced by clone().

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Member Function Documentation

EnergyMethodOP core::scoring::methods::dfire::DFIRE_Energy::clone

(

)

const [virtual]

clone

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

References DFIRE_Energy().

virtual bool core::scoring::methods::dfire::DFIRE_Energy::defines_intrares_energy

(

EnergyMap const &

weights

)

const [inline, 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.

bool core::scoring::methods::dfire::DFIRE_Energy::defines_residue_pair_energy	(	pose::Pose const &	pose,
		Size	res1,
		Size	res2
	)		const [virtual]

Implements core::scoring::methods::LongRangeTwoBodyEnergy.

References core::chemical::ResidueType::is_protein(), and core::pose::Pose::residue_type().

void core::scoring::methods::dfire::DFIRE_Energy::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.

void core::scoring::methods::dfire::DFIRE_Energy::indicate_required_context_graphs

(

utility::vector1< bool > &

)

const [virtual]

DFIRE_Energy is context independent and thus indicates that no context graphs are necessary.

Energy is context independent and thus indicates that no context graphs need to be maintained.

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

methods::LongRangeEnergyType core::scoring::methods::dfire::DFIRE_Energy::long_range_type

(

)

const [virtual]

Implements core::scoring::methods::LongRangeTwoBodyEnergy.

References core::scoring::methods::DFIRE.

Referenced by setup_for_scoring().

void core::scoring::methods::dfire::DFIRE_Energy::residue_energy	(	conformation::Residue const &	rsd,
		pose::Pose const &	pose,
		EnergyMap &	emap
	)		const [virtual]

void core::scoring::methods::dfire::DFIRE_Energy::residue_pair_energy	(	conformation::Residue const &	rsd1,
		conformation::Residue const &	rsd2,
		pose::Pose const &	pose,
		ScoreFunction const &	sfxn,
		EnergyMap &	emap
	)		const [virtual]

Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.

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

References core::scoring::methods::DFIRE, core::scoring::methods::dfire::DFIRE_Potential::eval_dfire_pair_energy(), and core::scoring::methods::dfire::get_DFIRE_potential().

void core::scoring::methods::dfire::DFIRE_Energy::setup_for_scoring	(	pose::Pose &	pose,
		ScoreFunction const &
	)		const [virtual]

Reimplemented from core::scoring::methods::EnergyMethod.

References core::pose::Pose::energies(), core::scoring::gb_elec, long_range_type(), and core::pose::Pose::total_residue().

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

• src/core/scoring/methods/dfire/DFIRE_Energy.hh
• src/core/scoring/methods/dfire/DFIRE_Energy.cc