Rosetta Protocols  2014.35
Public Types | Public Member Functions | Private Member Functions | Private Attributes | List of all members
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::ResidualDipolarCouplingRigidSegmentsrdc_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< Sizeatom2rdc_map_
 

Member Typedef Documentation

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

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