protocols::scoring::methods::InterchainEnvEnergy Class Reference

#include <InterchainEnvEnergy.hh>

Inheritance diagram for protocols::scoring::methods::InterchainEnvEnergy:

Collaboration diagram for protocols::scoring::methods::InterchainEnvEnergy:

List of all members.

Public Types
typedef core::scoring::methods::ContextDependentOneBodyEnergy	parent
Public Member Functions
	InterchainEnvEnergy ()
	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_energy (core::conformation::Residue const &rsd, core::pose::Pose const &, core::scoring::EnergyMap &) const
	calculate the env_score for residues at the interface
virtual void	finalize_total_energy (core::pose::Pose &pose, core::scoring::ScoreFunction const &, core::scoring::EnergyMap &emap) 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 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.

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Member Typedef Documentation

typedef core::scoring::methods::ContextDependentOneBodyEnergy protocols::scoring::methods::InterchainEnvEnergy::parent

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

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Constructor & Destructor Documentation

protocols::scoring::methods::InterchainEnvEnergy::InterchainEnvEnergy

(

)

c-tor

Referenced by clone().

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Member Function Documentation

core::scoring::methods::EnergyMethodOP protocols::scoring::methods::InterchainEnvEnergy::clone

(

)

const [virtual]

clone

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

References InterchainEnvEnergy().

void protocols::scoring::methods::InterchainEnvEnergy::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.

References core::scoring::interchain_contact.

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

calculate the env_score for residues at the interface

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

References core::scoring::interchain_env.

void protocols::scoring::methods::InterchainEnvEnergy::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().

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

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