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core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator Class Reference

#include <SixDTransRotPotentialEvaluator.hh>

Inheritance diagram for core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator:
Inheritance graph
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Public Member Functions

 SixDTransRotPotentialEvaluator (Size const &takeoff_pos, Size const &landing_pos, pose::Pose const &pose, core::Real const &loop_fixed_cost, SixDTransRotPotential const &potential)
 
 ~SixDTransRotPotentialEvaluator () override
 
- Public Member Functions inherited from core::scoring::loop_graph::evaluator::LoopClosePotentialEvaluator
 LoopClosePotentialEvaluator (core::Real const &loop_fixed_cost)
 
 ~LoopClosePotentialEvaluator () override
 
core::Real const & loop_fixed_cost () const
 
void set_loop_closure_energy (core::Real const &setting)
 
core::Real loop_closure_energy () const
 
void set_involves_current_pose (bool const &setting)
 
bool involves_current_pose () const
 
void set_current_pose_takeoff_atom (core::id::AtomID const &setting)
 
core::id::AtomID current_pose_takeoff_atom () const
 
void set_current_pose_landing_atom (core::id::AtomID const &setting)
 
core::id::AtomID current_pose_landing_atom () const
 
void set_current_pose_takeoff_xyz (Vector const &setting)
 
Vector current_pose_takeoff_xyz () const
 
void set_current_pose_landing_xyz (Vector const &setting)
 
Vector current_pose_landing_xyz () const
 

Private Member Functions

core::Real evaluate (core::pose::Pose const &pose)
 evaluate 6D potential for pose, figuring out atom ids for stubs, etc. More...
 
void figure_out_if_loop_involves_current_pose (core::pose::Pose const &pose)
 
void get_f1_f2 (Vector &f1, Vector &f2, bool const takeoff) const override
 

Private Attributes

core::Size const takeoff_pos_
 
core::Size const landing_pos_
 
core::id::AtomID takeoff_atom_id_
 
core::id::AtomID landing_atom_id_
 
SixDTransRotPotential const & potential_
 
core::kinematics::Stub stub1_
 
core::kinematics::Jump j_
 

Constructor & Destructor Documentation

core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator::SixDTransRotPotentialEvaluator ( Size const &  takeoff_pos,
Size const &  landing_pos,
pose::Pose const &  pose,
core::Real const &  loop_fixed_cost,
SixDTransRotPotential const &  potential 
)
core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator::~SixDTransRotPotentialEvaluator ( )
overridedefault

Member Function Documentation

Real core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator::evaluate ( core::pose::Pose const &  pose)
private
void core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator::figure_out_if_loop_involves_current_pose ( core::pose::Pose const &  pose)
private
void core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator::get_f1_f2 ( Vector f1,
Vector f2,
bool const  takeoff 
) const
overrideprivatevirtual

Member Data Documentation

core::kinematics::Jump core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator::j_
private

Referenced by evaluate(), and get_f1_f2().

core::id::AtomID core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator::landing_atom_id_
private
core::Size const core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator::landing_pos_
private
SixDTransRotPotential const& core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator::potential_
private

Referenced by evaluate(), and get_f1_f2().

core::kinematics::Stub core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator::stub1_
private

Referenced by evaluate(), and get_f1_f2().

core::id::AtomID core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator::takeoff_atom_id_
private
core::Size const core::scoring::loop_graph::evaluator::SixDTransRotPotentialEvaluator::takeoff_pos_
private

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