core::scoring::nmr::NMRDummySpinlabelAtom Class Reference

Derived class of VoxelGridPoint to store the 3D coordinates of one atom of a NMRDummySpinlabelConformer. NMRDummySpinlabelAtom is also a member of NMRDummySpinlabelConformer and holds a const pointer to its outer class. More...

#include <NMRDummySpinlabelVoxelGrid.hh>

Inheritance diagram for core::scoring::nmr::NMRDummySpinlabelAtom:

Public Member Functions
	NMRDummySpinlabelAtom ()
	Default constructor. More...
	NMRDummySpinlabelAtom (std::string const &name, Size const id, Vector const &coords, NMRDummySpinlabelConformer const &conformer)
	Construct from atom name, 3D coordinates and owning pointer to NMRDummySpinlabelConformer Convert owning pointer into access pointer to NMRDummySpinlabelConformer. More...
	~NMRDummySpinlabelAtom () override
	Destructor. More...
std::string	type () const override
	Type name of this voxel grid point. More...
bool	is_relevant_neighbor () const override
	Is relevant for neighbor search. More...
NMRDummySpinlabelConformer const *	conformer () 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...
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
NMRDummySpinlabelConformer const *	conformer_

Detailed Description

Derived class of VoxelGridPoint to store the 3D coordinates of one atom of a NMRDummySpinlabelConformer. NMRDummySpinlabelAtom is also a member of NMRDummySpinlabelConformer and holds a const pointer to its outer class.

Constructor & Destructor Documentation

core::scoring::nmr::NMRDummySpinlabelAtom::NMRDummySpinlabelAtom

(

)

Default constructor.

Class NMRDummySpinlabelAtom.

Default constructor

core::scoring::nmr::NMRDummySpinlabelAtom::NMRDummySpinlabelAtom	(	std::string const &	name,
		Size const	id,
		Vector const &	coords,
		NMRDummySpinlabelConformer const &	conformer
	)

Construct from atom name, 3D coordinates and owning pointer to NMRDummySpinlabelConformer Convert owning pointer into access pointer to NMRDummySpinlabelConformer.

Construct from 3D coordinates and owning pointer to NMRDummySpinlabelConformer Convert owning pointer into access pointer to NMRDummySpinlabelConformer.

core::scoring::nmr::NMRDummySpinlabelAtom::~NMRDummySpinlabelAtom ( )

override

Destructor.

Member Function Documentation

NMRDummySpinlabelConformer const* core::scoring::nmr::NMRDummySpinlabelAtom::conformer ( ) const

inline

References conformer_.

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

overridevirtual

Is relevant for neighbor search.

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

References conformer_, and core::scoring::nmr::NMRDummySpinlabelConformer::has_clash().

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

overridevirtual

Type name of this voxel grid point.

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

Member Data Documentation

NMRDummySpinlabelConformer const* core::scoring::nmr::NMRDummySpinlabelAtom::conformer_

private

Referenced by conformer(), and is_relevant_neighbor().

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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