core::scoring::packstat::LeeRichards Struct Reference

#include <LeeRichards.hh>

Collaboration diagram for core::scoring::packstat::LeeRichards:

Public Member Functions
	LeeRichards (PosePackDataOP pd, AccumulatorOP accum, core::Real spacing=0.33, core::Real probe_radius=1.4, bool csa=false, numeric::xyzVector< core::Real > plane=numeric::xyzVector< core::Real >(0, 0, 1))
	LeeRichards (core::pose::Pose &pose, AccumulatorOP accum, core::Real spacing=0.33, core::Real probe_radius=1.4, bool csa=false, numeric::xyzVector< core::Real > plane=numeric::xyzVector< core::Real >(0, 0, 1))
	~LeeRichards ()
core::Size	find_first_slice (core::Real r)
core::Real	get_surface_area () const

Private Member Functions
core::Size	find_first_slice (core::Real r, core::Size beg, core::Size end) const
void	compute (Spheres &spheres, AccumulatorOP accum, core::Real spacing=0.33, core::Real probe_radius=1.4, bool csa=false, numeric::xyzVector< core::Real > plane=numeric::xyzVector< core::Real >(0, 0, 1))

Private Attributes
core::Real	surface_area_
utility::vector1< Circles >	circles_
Slices	slices_
Reals	slice_coords_

Detailed Description

Definition at line 476 of file LeeRichards.hh.

Constructor & Destructor Documentation

core::scoring::packstat::LeeRichards::LeeRichards	(	PosePackDataOP	pd,
		AccumulatorOP	accum,
		core::Real	spacing = 0.33,
		core::Real	probe_radius = 1.4,
		bool	csa = false,
		numeric::xyzVector< core::Real >	plane = numeric::xyzVector<core::Real>(0,0,1)
	)

Definition at line 51 of file LeeRichards.cc.

core::scoring::packstat::LeeRichards::LeeRichards	(	core::pose::Pose &	pose,
		AccumulatorOP	accum,
		core::Real	spacing = 0.33,
		core::Real	probe_radius = 1.4,
		bool	csa = false,
		numeric::xyzVector< core::Real >	plane = numeric::xyzVector<core::Real>(0,0,1)
	)

Definition at line 62 of file LeeRichards.cc.

References core::conformation::Residue::atom_type(), core::chemical::AtomType::lj_radius(), core::conformation::Residue::nheavyatoms(), core::pose::Pose::residue(), core::pose::Pose::total_residue(), and core::pose::Pose::xyz().

core::scoring::packstat::LeeRichards::~LeeRichards ( )

inline

Definition at line 496 of file LeeRichards.hh.

References slices_.

Member Function Documentation

void core::scoring::packstat::LeeRichards::compute ( Spheres &  spheres, AccumulatorOP  accum, core::Real  spacing = 0.33, core::Real  probe_radius = 1.4, bool  csa = false, numeric::xyzVector< core::Real >  plane = numeric::xyzVector<core::Real>(0,0,1)  )

private

Definition at line 83 of file LeeRichards.cc.

References core::scoring::packstat::Sphere::aid, core::scoring::packstat::Sphere::radius, core::id::AtomID::rsd(), protocols::loops::stop, and core::scoring::packstat::Sphere::xyz.

core::Size core::scoring::packstat::LeeRichards::find_first_slice ( core::Real  r)

inline

Definition at line 501 of file LeeRichards.hh.

References slice_coords_.

Referenced by find_first_slice().

core::Size core::scoring::packstat::LeeRichards::find_first_slice ( core::Real  r, core::Size  beg, core::Size  end  ) const

inlineprivate

Definition at line 518 of file LeeRichards.hh.

References find_first_slice(), slice_coords_, and core::scoring::hbonds::t().

core::Real core::scoring::packstat::LeeRichards::get_surface_area ( ) const

inline

Definition at line 507 of file LeeRichards.hh.

References surface_area_.

Member Data Documentation

utility::vector1< Circles > core::scoring::packstat::LeeRichards::circles_

private

Definition at line 513 of file LeeRichards.hh.

Reals core::scoring::packstat::LeeRichards::slice_coords_

private

Definition at line 515 of file LeeRichards.hh.

Referenced by find_first_slice().

Slices core::scoring::packstat::LeeRichards::slices_

private

Definition at line 514 of file LeeRichards.hh.

Referenced by ~LeeRichards().

core::Real core::scoring::packstat::LeeRichards::surface_area_

private

Definition at line 511 of file LeeRichards.hh.

Referenced by get_surface_area().

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

• src/core/scoring/packstat/LeeRichards.hh
• src/core/scoring/packstat/LeeRichards.cc