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core::scoring::nmr::VoxelGridPoint Class Reference

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

#include <NMRDummySpinlabelVoxelGrid.hh>

Inheritance diagram for core::scoring::nmr::VoxelGridPoint:
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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
Vector const& core::scoring::nmr::VoxelGridPoint::get_coordinates ( ) const
inline
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
std::string core::scoring::nmr::VoxelGridPoint::type ( ) const
virtual

Member Data Documentation

std::string core::scoring::nmr::VoxelGridPoint::atom_name_
private

Referenced by atom_name().

Vector core::scoring::nmr::VoxelGridPoint::coords_
private

Referenced by get_coordinates().

Size core::scoring::nmr::VoxelGridPoint::id_
private

Referenced by id().


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