Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Private Attributes | List of all members
protocols::nmr::pcs::AtomGridPoint Class Reference

Two utility classes used by the PCSLigandTranformMover. More...

#include <PCSLigandTransformMover.hh>

Inheritance diagram for protocols::nmr::pcs::AtomGridPoint:
Inheritance graph
[legend]

Public Member Functions

 AtomGridPoint ()
 Default constructor. More...
 
 AtomGridPoint (std::string const &atom, core::Size const id, core::Vector const &coords, core::conformation::Residue const &residue)
 Construct from atom name, ID and 3D coordinates. More...
 
 ~AtomGridPoint () override
 Destructor. More...
 
bool is_relevant_neighbor () const
 Is relevant for neighbor search. More...
 
core::Vector const & get_coordinates () const
 
std::string atom_name () const
 
core::Size id () const
 
core::conformation::Residue const * residue () const
 
void set_coordinates (core::Vector const &v)
 

Private Attributes

std::string atom_name_
 
core::Size id_
 
core::Vector coords_
 
core::conformation::Residue const * residue_
 

Detailed Description

Two utility classes used by the PCSLigandTranformMover.

Constructor & Destructor Documentation

protocols::nmr::pcs::AtomGridPoint::AtomGridPoint ( )

Default constructor.

protocols::nmr::pcs::AtomGridPoint::AtomGridPoint ( std::string const &  atom,
core::Size const  id,
core::Vector const &  coords,
core::conformation::Residue const &  residue 
)

Construct from atom name, ID and 3D coordinates.

protocols::nmr::pcs::AtomGridPoint::~AtomGridPoint ( )
override

Destructor.

Member Function Documentation

std::string protocols::nmr::pcs::AtomGridPoint::atom_name ( ) const
inline
core::Vector const& protocols::nmr::pcs::AtomGridPoint::get_coordinates ( ) const
inline
core::Size protocols::nmr::pcs::AtomGridPoint::id ( ) const
inline
bool protocols::nmr::pcs::AtomGridPoint::is_relevant_neighbor ( ) const
inline

Is relevant for neighbor search.

Referenced by protocols::nmr::pcs::AtomGrid::IsRelevantItem().

core::conformation::Residue const* protocols::nmr::pcs::AtomGridPoint::residue ( ) const
inline
void protocols::nmr::pcs::AtomGridPoint::set_coordinates ( core::Vector const &  v)
inline

Member Data Documentation

std::string protocols::nmr::pcs::AtomGridPoint::atom_name_
private

Referenced by atom_name().

core::Vector protocols::nmr::pcs::AtomGridPoint::coords_
private

Referenced by get_coordinates(), and set_coordinates().

core::Size protocols::nmr::pcs::AtomGridPoint::id_
private

Referenced by id().

core::conformation::Residue const* protocols::nmr::pcs::AtomGridPoint::residue_
private

Referenced by residue().


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