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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:
Inheritance graph
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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().


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