core::scoring::packstat::MultiProbePerSphereAccumulator Struct Reference

#include <LeeRichards.hh>

Inheritance diagram for core::scoring::packstat::MultiProbePerSphereAccumulator:

Public Member Functions
	MultiProbePerSphereAccumulator (PosePackDataOP pd)
PackingScoreResDataOP	compute_surrounding_sasa (XYZ &center)
void	accumulate_area (core::id::AtomID id, core::Real area, bool) override
void	accumulate_dxdy (core::id::AtomID id, core::Real dx, core::Real dy, bool) override
void	set_pr_idx (Size pr_idx)
void	show (std::ostream &out)
core::Size	get_pr_idx ()

Public Attributes
core::id::AtomID_Map< LR_MP_AtomData >	atom_map_
core::Size	pr_idx_
PosePackDataOP	pd_

Constructor & Destructor Documentation

MultiProbePerSphereAccumulator()

core::scoring::packstat::MultiProbePerSphereAccumulator::MultiProbePerSphereAccumulator ( PosePackDataOP  pd )

inline

References atom_map_.

Referenced by core::scoring::packstat::compute_packing_score_leerichards().

Member Function Documentation

accumulate_area()

void core::scoring::packstat::MultiProbePerSphereAccumulator::accumulate_area ( core::id::AtomID  id, core::Real  area, bool    )

inlineoverridevirtual

Implements core::scoring::packstat::Accumulator.

References atom_map_, and pr_idx_.

accumulate_dxdy()

void core::scoring::packstat::MultiProbePerSphereAccumulator::accumulate_dxdy ( core::id::AtomID  id, core::Real  dx, core::Real  dy, bool    )

inlineoverridevirtual

Implements core::scoring::packstat::Accumulator.

References atom_map_, and pr_idx_.

compute_surrounding_sasa()

PackingScoreResDataOP core::scoring::packstat::MultiProbePerSphereAccumulator::compute_surrounding_sasa

(

XYZ &

center

)

References atom_map_, pd_, core::scoring::packstat::Sphere::xyz, and protocols::kinmatch::xyz().

get_pr_idx()

core::Size core::scoring::packstat::MultiProbePerSphereAccumulator::get_pr_idx ( )

inline

References pr_idx_.

set_pr_idx()

void core::scoring::packstat::MultiProbePerSphereAccumulator::set_pr_idx ( Size  pr_idx )

inline

References pr_idx_.

show()

void core::scoring::packstat::MultiProbePerSphereAccumulator::show ( std::ostream &  out )

inline

References atom_map_, core::conformation::membrane::out, and pd_.

Member Data Documentation

atom_map_

core::id::AtomID_Map<LR_MP_AtomData> core::scoring::packstat::MultiProbePerSphereAccumulator::atom_map_

Referenced by accumulate_area(), accumulate_dxdy(), compute_surrounding_sasa(), MultiProbePerSphereAccumulator(), and show().

pd_

PosePackDataOP core::scoring::packstat::MultiProbePerSphereAccumulator::pd_

Referenced by compute_surrounding_sasa(), and show().

pr_idx_

core::Size core::scoring::packstat::MultiProbePerSphereAccumulator::pr_idx_

Referenced by accumulate_area(), accumulate_dxdy(), get_pr_idx(), and set_pr_idx().

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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