core::scoring::nmr::VoxelGridPoint_AA Class Reference

Derived class of VoxelGridPoint to store the 3D coordinates of one atom of an amino acid residue. In addition, it holds a const pointer to the residue object to which it refers to. More...

#include <NMRDummySpinlabelVoxelGrid.hh>

Inheritance diagram for core::scoring::nmr::VoxelGridPoint_AA:

Public Member Functions
	VoxelGridPoint_AA ()
	Default constructor. More...
	VoxelGridPoint_AA (std::string const &name, Size const id, Vector const &coords, conformation::Residue const &resi)
	Construct from 3D coordinates and owning pointer to Residue. More...
	~VoxelGridPoint_AA () override
	Destructor. More...
std::string	type () const override
	Type name of this voxel grid point. More...
conformation::Residue const *	residue () const
Public Member Functions inherited from core::scoring::nmr::VoxelGridPoint
	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 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
conformation::Residue const *	residue_

Detailed Description

Derived class of VoxelGridPoint to store the 3D coordinates of one atom of an amino acid residue. In addition, it holds a const pointer to the residue object to which it refers to.

Constructor & Destructor Documentation

core::scoring::nmr::VoxelGridPoint_AA::VoxelGridPoint_AA

(

)

Default constructor.

Class VoxelGridPoint_SL.

Default constructor

core::scoring::nmr::VoxelGridPoint_AA::VoxelGridPoint_AA	(	std::string const &	name,
		Size const	id,
		Vector const &	coords,
		conformation::Residue const &	resi
	)

Construct from 3D coordinates and owning pointer to Residue.

core::scoring::nmr::VoxelGridPoint_AA::~VoxelGridPoint_AA ( )

override

Destructor.

Member Function Documentation

conformation::Residue const* core::scoring::nmr::VoxelGridPoint_AA::residue ( ) const

inline

References residue_.

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

overridevirtual

Type name of this voxel grid point.

Reimplemented from core::scoring::nmr::VoxelGridPoint.

Member Data Documentation

conformation::Residue const* core::scoring::nmr::VoxelGridPoint_AA::residue_

private

Referenced by residue().

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

• src/core/scoring/nmr/NMRDummySpinlabelVoxelGrid.hh
• src/core/scoring/nmr/NMRDummySpinlabelVoxelGrid.cc