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core::conformation::orbitals::OrbitalXYZCoords Class Reference

#include <OrbitalXYZCoords.hh>

Public Member Functions

 OrbitalXYZCoords ()
 default constructor and set atom type number to 0 and place the atom at the origin More...
 
 OrbitalXYZCoords (Vector const &xyz_in, ShortSize const &type)
 constructor with an atom type number More...
 
 ~OrbitalXYZCoords ()
 destructor More...
 
Vector const & xyz () const
 
void xyz (Vector const &xyz_in)
 
ShortSize const & type () const
 
void type (ShortSize const &type_in)
 

Private Attributes

Vector xyz_
 xyz coordinates More...
 
ShortSize type_
 

Constructor & Destructor Documentation

core::conformation::orbitals::OrbitalXYZCoords::OrbitalXYZCoords ( )
inline

default constructor and set atom type number to 0 and place the atom at the origin

core::conformation::orbitals::OrbitalXYZCoords::OrbitalXYZCoords ( Vector const &  xyz_in,
ShortSize const &  type 
)
inline

constructor with an atom type number

core::conformation::orbitals::OrbitalXYZCoords::~OrbitalXYZCoords ( )
inline

destructor

Member Function Documentation

ShortSize const& core::conformation::orbitals::OrbitalXYZCoords::type ( ) const
inline

References type_.

void core::conformation::orbitals::OrbitalXYZCoords::type ( ShortSize const &  type_in)
inline

References type_.

Vector const& core::conformation::orbitals::OrbitalXYZCoords::xyz ( ) const
inline

References xyz_.

void core::conformation::orbitals::OrbitalXYZCoords::xyz ( Vector const &  xyz_in)
inline

References xyz_.

Member Data Documentation

ShortSize core::conformation::orbitals::OrbitalXYZCoords::type_
private

Referenced by type().

Vector core::conformation::orbitals::OrbitalXYZCoords::xyz_
private

xyz coordinates

Referenced by xyz().


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