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core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions Class Reference

Options container for the BuriedUnsatPenaltyGraph. Initialized by the BuriedUnsatPenalty energy method. More...

#include <BuriedUnsatPenaltyGraphOptions.hh>

Inheritance diagram for core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions:
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Public Member Functions

 BuriedUnsatPenaltyGraphOptions ()=delete
 Default constructor – explicitly deleted. More...
 
 BuriedUnsatPenaltyGraphOptions (core::Real const angle_exponent, core::Real const angle_shift_factor, core::Real const dist_exponent, core::Real const dist_midpoint, core::Real const burial_threshold, core::Real const hbond_energy_threshold)
 Options constructor. More...
 
 BuriedUnsatPenaltyGraphOptions (BuriedUnsatPenaltyGraphOptions const &)=default
 Copy constructor. More...
 
 ~BuriedUnsatPenaltyGraphOptions () override
 Default destructor. More...
 
BuriedUnsatPenaltyGraphOptionsOP clone () const
 Clone method: return a copy of the original object, by owning pointer. More...
 
void show (std::ostream &out) const
 Print information about this object. More...
 
core::Real angle_exponent () const
 Get the angle exponent, for determining burial by the method of sidechain neighbor cones. More...
 
core::Real angle_shift_factor () const
 Get the angle shift factor, for determining burial by the method of sidechain neighbor cones. More...
 
core::Real dist_exponent () const
 Get the distance exponent, for determining burial by the method of sidechain neighbor cones. More...
 
core::Real dist_midpoint () const
 Get the distance midpoint, for determining burial by the method of sidechain neighbor cones. More...
 
core::Real burial_threshold () const
 Get the minimum number of cones that a point must fall within, for determining burial by the method of sidechain neighbor cones. More...
 
core::Real hbond_energy_threshold () const
 Get the maximum hydrogen bond energy allowed, above which a hydrogen bond is not counted. More...
 

Private Attributes

core::Real angle_exponent_
 The angle exponent, for determining burial by the method of sidechain neighbor cones. More...
 
core::Real angle_shift_factor_
 The angle shift factor, for determining burial by the method of sidechain neighbor cones. More...
 
core::Real dist_exponent_
 The distance exponent, for determining burial by the method of sidechain neighbor cones. More...
 
core::Real dist_midpoint_
 The distance midpoint, for determining burial by the method of sidechain neighbor cones. More...
 
core::Real burial_threshold_
 The minimum number of cones that a point must fall within, for determining burial by the method of sidechain neighbor cones. More...
 
core::Real hbond_energy_threshold_
 The maximum hydrogen bond energy allowed, above which a hydrogen bond is not counted. More...
 

Detailed Description

Options container for the BuriedUnsatPenaltyGraph. Initialized by the BuriedUnsatPenalty energy method.

Constructor & Destructor Documentation

core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::BuriedUnsatPenaltyGraphOptions ( )
delete

Default constructor – explicitly deleted.

core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::BuriedUnsatPenaltyGraphOptions ( core::Real const  angle_exponent,
core::Real const  angle_shift_factor,
core::Real const  dist_exponent,
core::Real const  dist_midpoint,
core::Real const  burial_threshold,
core::Real const  hbond_energy_threshold 
)

Options constructor.

core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::BuriedUnsatPenaltyGraphOptions ( BuriedUnsatPenaltyGraphOptions const &  )
default

Copy constructor.

core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::~BuriedUnsatPenaltyGraphOptions ( )
override

Default destructor.

Member Function Documentation

core::Real core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::angle_exponent ( ) const
inline

Get the angle exponent, for determining burial by the method of sidechain neighbor cones.

References angle_exponent_.

Referenced by core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::is_buried().

core::Real core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::angle_shift_factor ( ) const
inline

Get the angle shift factor, for determining burial by the method of sidechain neighbor cones.

References angle_shift_factor_.

Referenced by core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::is_buried().

core::Real core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::burial_threshold ( ) const
inline

Get the minimum number of cones that a point must fall within, for determining burial by the method of sidechain neighbor cones.

References burial_threshold_.

Referenced by core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::is_buried().

BuriedUnsatPenaltyGraphOptionsOP core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::clone ( ) const

Clone method: return a copy of the original object, by owning pointer.

core::Real core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::dist_exponent ( ) const
inline

Get the distance exponent, for determining burial by the method of sidechain neighbor cones.

References dist_exponent_.

Referenced by core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::is_buried().

core::Real core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::dist_midpoint ( ) const
inline

Get the distance midpoint, for determining burial by the method of sidechain neighbor cones.

References dist_midpoint_.

Referenced by core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::is_buried().

core::Real core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::hbond_energy_threshold ( ) const
inline

Get the maximum hydrogen bond energy allowed, above which a hydrogen bond is not counted.

References hbond_energy_threshold_.

void core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::show ( std::ostream &  out) const

Member Data Documentation

core::Real core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::angle_exponent_
private

The angle exponent, for determining burial by the method of sidechain neighbor cones.

Referenced by angle_exponent(), and show().

core::Real core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::angle_shift_factor_
private

The angle shift factor, for determining burial by the method of sidechain neighbor cones.

Referenced by angle_shift_factor(), and show().

core::Real core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::burial_threshold_
private

The minimum number of cones that a point must fall within, for determining burial by the method of sidechain neighbor cones.

Referenced by burial_threshold(), and show().

core::Real core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::dist_exponent_
private

The distance exponent, for determining burial by the method of sidechain neighbor cones.

Referenced by dist_exponent(), and show().

core::Real core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::dist_midpoint_
private

The distance midpoint, for determining burial by the method of sidechain neighbor cones.

Referenced by dist_midpoint(), and show().

core::Real core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphOptions::hbond_energy_threshold_
private

The maximum hydrogen bond energy allowed, above which a hydrogen bond is not counted.

Referenced by hbond_energy_threshold(), and show().


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