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:

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

Print information about this object.

References angle_exponent_, angle_shift_factor_, burial_threshold_, dist_exponent_, dist_midpoint_, and hbond_energy_threshold_.

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().

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

• src/core/pack/guidance_scoreterms/buried_unsat_penalty/graph/BuriedUnsatPenaltyGraphOptions.hh
• src/core/pack/guidance_scoreterms/buried_unsat_penalty/graph/BuriedUnsatPenaltyGraphOptions.cc