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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:
Inheritance graph
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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().


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