Base class of a point object from which the voxel grid is created. More...

#include <NMRDummySpinlabelVoxelGrid.hh>

Inheritance diagram for core::scoring::nmr::VoxelGridPoint:

Public Member Functions
	VoxelGridPoint ()
	Default constructor. More...

	VoxelGridPoint (std::string const &atom, Size const id, Vector const &coords)
	Construct from atom name, ID and 3D coordinates. More...

	~VoxelGridPoint () override
	Destructor. More...

virtual std::string	type () const
	Type name of this voxel grid point. More...

virtual bool	is_relevant_neighbor () const
	Is relevant for neighbor search. More...

Size	id () const
	Integer key to identify membership of this point to a group (e.g. a conformer or residue). Points belonging to the same group will have the same key. A key is a fast way in retrieving information about the group. Locking up the derived classes' member pointer and eventual casts would take too long. More...

Vector const &	get_coordinates () const

std::string	atom_name () const

Private Attributes
std::string	atom_name_

Size	id_

Vector	coords_

Detailed Description

Base class of a point object from which the voxel grid is created.

Constructor & Destructor Documentation

core::scoring::nmr::VoxelGridPoint::VoxelGridPoint ( )

Default constructor.

Class VoxelGridPoint.

Default constructor

core::scoring::nmr::VoxelGridPoint::VoxelGridPoint	(	std::string const &	atom,
		Size const	id,
		Vector const &	coords
	)

Construct from atom name, ID and 3D coordinates.

Construct from atom name and 3D coordinates.

core::scoring::nmr::VoxelGridPoint::~VoxelGridPoint ( )

override

Destructor.

Member Function Documentation

std::string core::scoring::nmr::VoxelGridPoint::atom_name ( ) const

inline

References atom_name_.

Referenced by core::scoring::nmr::NMRDummySpinlabelVoxelGrid::IsSameItem().

Vector const& core::scoring::nmr::VoxelGridPoint::get_coordinates ( ) const

inline

References coords_.

Referenced by core::scoring::nmr::NMRDummySpinlabelVoxelGrid::ExtractPosition().

Size core::scoring::nmr::VoxelGridPoint::id ( ) const

inline

Integer key to identify membership of this point to a group (e.g. a conformer or residue). Points belonging to the same group will have the same key. A key is a fast way in retrieving information about the group. Locking up the derived classes' member pointer and eventual casts would take too long.

References id_.

Referenced by core::scoring::nmr::NMRDummySpinlabelVoxelGrid::IsSameItem().

bool core::scoring::nmr::VoxelGridPoint::is_relevant_neighbor ( ) const

virtual

Is relevant for neighbor search.

Reimplemented in core::scoring::nmr::NMRDummySpinlabelAtom.

Referenced by core::scoring::nmr::NMRDummySpinlabelVoxelGrid::IsRelevantItem().

std::string core::scoring::nmr::VoxelGridPoint::type ( ) const

virtual

Type name of this voxel grid point.

Reimplemented in core::scoring::nmr::VoxelGridPoint_AA, and core::scoring::nmr::NMRDummySpinlabelAtom.

Referenced by core::scoring::nmr::NMRDummySpinlabelVoxelGrid::IsSameItem().