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

#include <LeeRichards.hh>

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

Collaboration diagram for core::scoring::packstat::MultiProbePerSphereAccumulator:

Public Member Functions
	MultiProbePerSphereAccumulator (PosePackDataOP pd)
PackingScoreResDataOP	compute_surrounding_sasa (XYZ &center)
virtual void	accumulate_area (core::id::AtomID id, core::Real area, bool)
virtual void	accumulate_dxdy (core::id::AtomID id, core::Real dx, core::Real dy, bool)
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_

Detailed Description

Definition at line 144 of file LeeRichards.hh.

Constructor & Destructor Documentation

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

inline

Definition at line 145 of file LeeRichards.hh.

References atom_map_.

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

Member Function Documentation

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

inlinevirtual

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

Definition at line 151 of file LeeRichards.hh.

References atom_map_, and pr_idx_.

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

inlinevirtual

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

Definition at line 154 of file LeeRichards.hh.

References atom_map_, and pr_idx_.

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

(

XYZ &

center)

Definition at line 421 of file LeeRichards.cc.

References atom_map_, pd_, and core::scoring::packstat::Sphere::xyz.

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

inline

Definition at line 177 of file LeeRichards.hh.

References pr_idx_.

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

inline

Definition at line 161 of file LeeRichards.hh.

References pr_idx_.

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

inline

Definition at line 165 of file LeeRichards.hh.

References atom_map_, and pd_.

Member Data Documentation

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

Definition at line 178 of file LeeRichards.hh.

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

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

Definition at line 180 of file LeeRichards.hh.

Referenced by compute_surrounding_sasa(), and show().

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

Definition at line 179 of file LeeRichards.hh.

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