protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments Class Reference

#include <ResidualDipolarCouplingEnergyRigidSegments.hh>

Public Types
typedef core::scoring::methods::WholeStructureEnergy	parent

Public Member Functions
	ResidualDipolarCouplingEnergyRigidSegments ()
virtual core::scoring::methods::EnergyMethodOP	clone () const
virtual void	setup_for_scoring (core::pose::Pose &, core::scoring::ScoreFunction const &) const
void	finalize_total_energy (core::pose::Pose &pose, core::scoring::ScoreFunction const &, core::scoring::EnergyMap &totals) 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. More...
void	indicate_required_context_graphs (utility::vector1< bool > &) const

Private Member Functions
protocols::scoring::ResidualDipolarCouplingRigidSegments &	rdc_segments_from_pose (core::pose::Pose &pose) const
core::Real	eval_dipolar (core::pose::Pose &pose) const
virtual core::Size	version () const

Private Attributes
core::Real	dip_score_
core::id::AtomID_Map< Size >	atom2rdc_map_

Member Typedef Documentation

typedef core::scoring::methods::WholeStructureEnergy protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::parent

Constructor & Destructor Documentation

protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::ResidualDipolarCouplingEnergyRigidSegments

(

)

Referenced by clone().

Member Function Documentation

core::scoring::methods::EnergyMethodOP protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::clone ( ) const

virtual

References ResidualDipolarCouplingEnergyRigidSegments().

core::Real protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::eval_dipolar ( core::pose::Pose &  pose ) const

private

References protocols::scoring::ResidualDipolarCouplingRigidSegments::compute_pairwise_score(), protocols::scoring::ResidualDipolarCouplingRigidSegments::compute_total_score(), option, rdc_segments_from_pose(), score, and user.

Referenced by setup_for_scoring().

void protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::finalize_total_energy	(	core::pose::Pose &	pose,
		core::scoring::ScoreFunction const &	,
		core::scoring::EnergyMap &	totals
	)		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.

References dip_score_, and rdc_segments.

void protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::indicate_required_context_graphs ( utility::vector1< bool > &  ) const

inline

ResidualDipolarCouplingRigidSegments & protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::rdc_segments_from_pose ( core::pose::Pose &  pose ) const

private

References protocols::scoring::retrieve_RDC_segments_from_pose(), and protocols::scoring::store_RDC_segments_in_pose().

Referenced by eval_dipolar().

void protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::setup_for_scoring ( core::pose::Pose &  pose, core::scoring::ScoreFunction const &    ) const

virtual

References dip_score_, and eval_dipolar().

core::Size protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::version ( ) const

privatevirtual

Member Data Documentation

core::id::AtomID_Map< Size > protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::atom2rdc_map_

mutableprivate

core::Real protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::dip_score_

mutableprivate

Referenced by finalize_total_energy(), and setup_for_scoring().

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

• symlinks/rosetta/src/protocols/scoring/methods/ResidualDipolarCouplingEnergyRigidSegments.hh
• symlinks/rosetta/src/protocols/scoring/methods/ResidualDipolarCouplingEnergyRigidSegments.cc