core::scoring::packing::PoseBallsLite Class Reference

#include <PoseBallsLite.hh>

Inheritance diagram for core::scoring::packing::PoseBallsLite:

Collaboration diagram for core::scoring::packing::PoseBallsLite:

Public Member Functions
virtual	~PoseBallsLite ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
	PoseBallsLite (core::pose::Pose const &pose, core::Size Hmode=0, bool ignore_water=true)
core::Size const &	nballs () const
core::Size const &	id_to_index (core::id::AtomID const &aid) const
core::id::AtomID const &	index_to_id (core::Size const &index) const
Ball const &	ball (core::Size const &index) const
Ball const &	ball (core::id::AtomID const &id) const
Ball &	ball (core::Size const &index)
Ball &	ball (core::id::AtomID const &id)
core::Size const &	atom_num (core::Size const &index) const
core::Size const &	res_num (core::Size const &index) const

Private Attributes
core::Size	nballs_
core::id::AtomID_Map< Size >	id_to_index_
utility::vector1 < core::id::AtomID >	index_to_id_
utility::vector1< Ball >	balls_
utility::vector1< core::Size >	atom_num_
utility::vector1< core::Size >	res_num_

Detailed Description

Definition at line 35 of file PoseBallsLite.hh.

Constructor & Destructor Documentation

core::scoring::packing::PoseBallsLite::~PoseBallsLite ( )

virtual

Automatically generated virtual destructor for class deriving directly from ReferenceCount.

Auto-generated virtual destructor

Definition at line 37 of file PoseBallsLite.cc.

core::scoring::packing::PoseBallsLite::PoseBallsLite	(	core::pose::Pose const &	pose,
		core::Size	Hmode = 0,
		bool	ignore_water = true
	)

Definition at line 69 of file PoseBallsLite.cc.

References core::conformation::Residue::atom_type(), core::pose::initialize_atomid_map(), core::chemical::AtomType::is_hydrogen(), core::chemical::AtomType::is_polar_hydrogen(), core::conformation::Residue::is_virtual(), core::chemical::AtomType::lj_radius(), core::conformation::Residue::natoms(), core::pose::Pose::pdb_info(), core::pose::Pose::residue(), core::pose::Pose::total_residue(), and core::pose::Pose::xyz().

Member Function Documentation

core::Size const& core::scoring::packing::PoseBallsLite::atom_num ( core::Size const &  index) const

inline

Definition at line 69 of file PoseBallsLite.hh.

References atom_num_.

Referenced by core::scoring::packing::initialize_AtomID_Map().

Ball const& core::scoring::packing::PoseBallsLite::ball ( core::Size const &  index) const

inline

Definition at line 58 of file PoseBallsLite.hh.

References balls_.

Referenced by core::scoring::packing::get_surf_tot(), and core::scoring::packing::get_surf_vol().

Ball const& core::scoring::packing::PoseBallsLite::ball ( core::id::AtomID const &  id) const

inline

Definition at line 62 of file PoseBallsLite.hh.

References balls_, and id_to_index_.

Ball& core::scoring::packing::PoseBallsLite::ball ( core::Size const &  index)

inline

Definition at line 66 of file PoseBallsLite.hh.

References balls_.

Ball& core::scoring::packing::PoseBallsLite::ball ( core::id::AtomID const &  id)

inline

Definition at line 67 of file PoseBallsLite.hh.

References balls_, and id_to_index_.

core::Size const& core::scoring::packing::PoseBallsLite::id_to_index ( core::id::AtomID const &  aid) const

inline

Definition at line 50 of file PoseBallsLite.hh.

References id_to_index_.

core::id::AtomID const& core::scoring::packing::PoseBallsLite::index_to_id ( core::Size const &  index) const

inline

Definition at line 54 of file PoseBallsLite.hh.

References index_to_id_.

Referenced by core::scoring::packing::get_surf_vol().

core::Size const& core::scoring::packing::PoseBallsLite::nballs ( ) const

inline

Definition at line 46 of file PoseBallsLite.hh.

References nballs_.

Referenced by core::scoring::packing::get_surf_tot(), core::scoring::packing::get_surf_vol(), and core::scoring::packing::initialize_AtomID_Map().

core::Size const& core::scoring::packing::PoseBallsLite::res_num ( core::Size const &  index) const

inline

Definition at line 72 of file PoseBallsLite.hh.

References res_num_.

Referenced by core::scoring::packing::initialize_AtomID_Map().

Member Data Documentation

utility::vector1<core::Size> core::scoring::packing::PoseBallsLite::atom_num_

private

Definition at line 84 of file PoseBallsLite.hh.

Referenced by atom_num().

utility::vector1<Ball> core::scoring::packing::PoseBallsLite::balls_

private

Definition at line 83 of file PoseBallsLite.hh.

Referenced by ball().

core::id::AtomID_Map<Size> core::scoring::packing::PoseBallsLite::id_to_index_

private

Definition at line 81 of file PoseBallsLite.hh.

Referenced by ball(), and id_to_index().

utility::vector1<core::id::AtomID> core::scoring::packing::PoseBallsLite::index_to_id_

private

Definition at line 82 of file PoseBallsLite.hh.

Referenced by index_to_id().

core::Size core::scoring::packing::PoseBallsLite::nballs_

private

Definition at line 80 of file PoseBallsLite.hh.

Referenced by nballs().

utility::vector1<core::Size> core::scoring::packing::PoseBallsLite::res_num_

private

Definition at line 85 of file PoseBallsLite.hh.

Referenced by res_num().

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

• src/core/scoring/packing/PoseBallsLite.hh
• src/core/scoring/packing/PoseBallsLite.cc