Rosetta 3.4
Public Member Functions
protocols::scoring::methods::saxs::PDDFEnergy Class Reference

#include <PDDFEnergy.hh>

Inheritance diagram for protocols::scoring::methods::saxs::PDDFEnergy:
Inheritance graph
[legend]
Collaboration diagram for protocols::scoring::methods::saxs::PDDFEnergy:
Collaboration graph
[legend]

List of all members.

Public Member Functions

 PDDFEnergy ()
 PDDFEnergy (utility::vector1< core::Real > const &, utility::vector1< core::Real > const &)
 c-tors
virtual ~PDDFEnergy ()
virtual
core::scoring::methods::EnergyMethodOP 
clone () const
virtual void finalize_total_energy (core::pose::Pose &pose, core::scoring::ScoreFunction const &, core::scoring::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.
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.
core::scoring::methods::EnergyMethodOP create_energy_method (core::scoring::methods::EnergyMethodOptions const &) const
utility::vector1< core::Real > & get_pddf ()
utility::vector1< core::Real > & get_dist_bins ()
utility::vector1< core::Real > & compute_pddf (const core::pose::Pose &) const
utility::vector1< core::Real > & compute_pddf_without_ff (const core::pose::Pose &) const
core::Real compute_chi (utility::vector1< core::Real > const &, utility::vector1< core::Real > const &) const
core::Real compute_L1 (utility::vector1< core::Real > const &, utility::vector1< core::Real > const &) const
void create_pddf (core::pose::Pose &, core::Real, core::Real, core::Real)
core::Real evaluate_pddf_energy (const core::pose::Pose &pose) const

Constructor & Destructor Documentation

protocols::scoring::methods::saxs::PDDFEnergy::PDDFEnergy ( )
protocols::scoring::methods::saxs::PDDFEnergy::PDDFEnergy ( utility::vector1< core::Real > const &  reference_d,
utility::vector1< core::Real > const &  reference_pddf 
)

c-tors

virtual protocols::scoring::methods::saxs::PDDFEnergy::~PDDFEnergy ( ) [inline, virtual]

Member Function Documentation

virtual core::scoring::methods::EnergyMethodOP protocols::scoring::methods::saxs::PDDFEnergy::clone ( ) const [inline, virtual]
core::Real protocols::scoring::methods::saxs::PDDFEnergy::compute_chi ( utility::vector1< core::Real > const &  pddf_scored,
utility::vector1< core::Real > const &  pddf_reference 
) const
core::Real protocols::scoring::methods::saxs::PDDFEnergy::compute_L1 ( utility::vector1< core::Real > const &  pddf_scored,
utility::vector1< core::Real > const &  pddf_reference 
) const
utility::vector1< core::Real > & protocols::scoring::methods::saxs::PDDFEnergy::compute_pddf ( const core::pose::Pose pose) const
utility::vector1< core::Real > & protocols::scoring::methods::saxs::PDDFEnergy::compute_pddf_without_ff ( const core::pose::Pose pose) const
core::scoring::methods::EnergyMethodOP protocols::scoring::methods::saxs::PDDFEnergy::create_energy_method ( core::scoring::methods::EnergyMethodOptions const &  ) const [inline]

References PDDFEnergy().

void protocols::scoring::methods::saxs::PDDFEnergy::create_pddf ( core::pose::Pose ref_pose,
core::Real  d_min,
core::Real  d_step,
core::Real  d_max 
)
core::Real protocols::scoring::methods::saxs::PDDFEnergy::evaluate_pddf_energy ( const core::pose::Pose pose) const
void protocols::scoring::methods::saxs::PDDFEnergy::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 compute_chi(), compute_pddf_without_ff(), and core::scoring::pddf_score.

utility::vector1<core::Real>& protocols::scoring::methods::saxs::PDDFEnergy::get_dist_bins ( ) [inline]
utility::vector1<core::Real>& protocols::scoring::methods::saxs::PDDFEnergy::get_pddf ( ) [inline]
virtual void protocols::scoring::methods::saxs::PDDFEnergy::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.


The documentation for this class was generated from the following files:
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines