protocols::scoring::methods::InterchainPairEnergy Class Reference

#include <InterchainPairEnergy.hh>

Inheritance diagram for protocols::scoring::methods::InterchainPairEnergy:

Collaboration diagram for protocols::scoring::methods::InterchainPairEnergy:

List of all members.

Public Types
typedef core::scoring::methods::ContextIndependentTwoBodyEnergy	parent
Public Member Functions
	InterchainPairEnergy ()
	c-tor
virtual core::scoring::methods::EnergyMethodOP	clone () const
	clone
virtual void	setup_for_scoring (core::pose::Pose &pose, core::scoring::ScoreFunction const &) const
virtual void	residue_pair_energy (core::conformation::Residue const &rsd1, core::conformation::Residue const &rsd2, core::pose::Pose const &, core::scoring::ScoreFunction const &, core::scoring::EnergyMap &emap) const
	calculate the pair_score between chains
virtual void	finalize_total_energy (core::pose::Pose &pose, core::scoring::ScoreFunction const &, core::scoring::EnergyMap &) const
	called by the ScoreFunction at the end of energy evaluation. The derived class has the opportunity to accumulate a score into the pose's total_energy EnergyMap. WholeStructure energies operate within this method; any method using a NeighborList during minimization would also operate within this function call.
virtual bool	defines_intrares_energy (core::scoring::EnergyMap const &) const
	This method *should* admit to defining intraresidue energies.
void	eval_intrares_energy (core::conformation::Residue const &, core::pose::Pose const &, core::scoring::ScoreFunction const &, core::scoring::EnergyMap &) const
	Evaluate the intra-residue energy for a given residue.
virtual core::Distance	atomic_interaction_cutoff () const
	Energy distance cutoff.
virtual void	indicate_required_context_graphs (utility::vector1< bool > &) const
	Indicate in the context-graphs-required list which context-graphs this energy method requires that the Pose maintain when doing neighbor evaluation. Context graphs are allowed.

---

Member Typedef Documentation

typedef core::scoring::methods::ContextIndependentTwoBodyEnergy protocols::scoring::methods::InterchainPairEnergy::parent

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

---

Constructor & Destructor Documentation

protocols::scoring::methods::InterchainPairEnergy::InterchainPairEnergy

(

)

c-tor

Referenced by clone().

---

Member Function Documentation

core::Distance protocols::scoring::methods::InterchainPairEnergy::atomic_interaction_cutoff

(

)

const [virtual]

Energy distance cutoff.

Implements core::scoring::methods::ShortRangeTwoBodyEnergy.

core::scoring::methods::EnergyMethodOP protocols::scoring::methods::InterchainPairEnergy::clone

(

)

const [virtual]

clone

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

References InterchainPairEnergy().

virtual bool protocols::scoring::methods::InterchainPairEnergy::defines_intrares_energy

(

core::scoring::EnergyMap const &

)

const [inline, virtual]

This method *should* admit to defining intraresidue energies.

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

void protocols::scoring::methods::InterchainPairEnergy::eval_intrares_energy	(	core::conformation::Residue const &	rsd,
		core::pose::Pose const &	pose,
		core::scoring::ScoreFunction const &	sfxn,
		core::scoring::EnergyMap &	emap
	)		const [inline, virtual]

Evaluate the intra-residue energy for a given residue.

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

void protocols::scoring::methods::InterchainPairEnergy::finalize_total_energy	(	core::pose::Pose &	pose,
		core::scoring::ScoreFunction const &	sfxn,
		core::scoring::EnergyMap &	total_energy
	)		const [virtual]

called by the ScoreFunction at the end of energy evaluation. The derived class has the opportunity to accumulate a score into the pose's total_energy EnergyMap. WholeStructure energies operate within this method; any method using a NeighborList during minimization would also operate within this function call.

called at the end of energy evaluation

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

virtual void protocols::scoring::methods::InterchainPairEnergy::indicate_required_context_graphs

(

utility::vector1< bool > &

context_graphs_required

)

const [inline, virtual]

Indicate in the context-graphs-required list which context-graphs this energy method requires that the Pose maintain when doing neighbor evaluation. Context graphs are allowed.

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

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

calculate the pair_score between chains

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

References core::scoring::interchain_pair, and core::scoring::interchain_vdw.

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

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

References core::scoring::EnvPairPotential::compute_centroid_environment(), protocols::scoring::InterchainPotential::compute_interface(), and core::pose::Pose::update_residue_neighbors().

---

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

• src/protocols/scoring/methods/InterchainPairEnergy.hh
• src/protocols/scoring/methods/InterchainPairEnergy.cc