core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments Class Reference

#include <ResidualDipolarCouplingEnergyRigidSegments.hh>

Inheritance diagram for core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments:

Collaboration diagram for core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments:

List of all members.

Public Types
typedef WholeStructureEnergy	parent
Public Member Functions
	ResidualDipolarCouplingEnergyRigidSegments ()
virtual EnergyMethodOP	clone () const
virtual void	setup_for_scoring (pose::Pose &, ScoreFunction const &) const
virtual void	setup_for_minimizing (pose::Pose &, ScoreFunction const &, optimization::MinimizerMap const &) const
	Called at the beginning of atom tree minimization, this method allows the derived class the opportunity to initialize pertinent data that will be used during minimization. During minimzation, the chemical structure of the pose is constant, so assumptions on the number of atoms per residue and their identities are safe so long as the pose's Energies object's "use_nblist()" method returns true.
void	finalize_total_energy (pose::Pose &pose, ScoreFunction const &, EnergyMap &totals) 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.
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 WholeStructureEnergy core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::parent

Reimplemented from core::scoring::methods::WholeStructureEnergy.

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Constructor & Destructor Documentation

core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::ResidualDipolarCouplingEnergyRigidSegments

(

)

Referenced by clone().

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Member Function Documentation

EnergyMethodOP core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::clone

(

)

const [virtual]

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

References ResidualDipolarCouplingEnergyRigidSegments().

void core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::finalize_total_energy	(	pose::Pose &	pose,
		ScoreFunction const &	sfxn,
		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::rdc.

void core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::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 core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::setup_for_minimizing	(	pose::Pose &	pose,
		ScoreFunction const &	,
		optimization::MinimizerMap const &
	)		const [virtual]

Called at the beginning of atom tree minimization, this method allows the derived class the opportunity to initialize pertinent data that will be used during minimization. During minimzation, the chemical structure of the pose is constant, so assumptions on the number of atoms per residue and their identities are safe so long as the pose's Energies object's "use_nblist()" method returns true.

References core::scoring::ResidualDipolarCoupling::get_RDC_data(), protocols::scoring::retrieve_RDC_segments_from_pose(), core::id::AtomID_Map< T >::set(), and core::scoring::methods::tr().

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

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

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

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