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...
OrbitalXYZCoordsOP	clone () const
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

OrbitalXYZCoords() [1/2]

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

inline

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

OrbitalXYZCoords() [2/2]

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

inline

constructor with an atom type number

~OrbitalXYZCoords()

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

inline

destructor

Member Function Documentation

clone()

OrbitalXYZCoordsOP core::conformation::orbitals::OrbitalXYZCoords::clone ( ) const

inline

type() [1/2]

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

inline

References type_.

type() [2/2]

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

inline

References type_.

xyz() [1/2]

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

inline

References xyz_.

xyz() [2/2]

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

inline

References xyz_.

Member Data Documentation

type_

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

private

Referenced by type().

xyz_

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

private

xyz coordinates

Referenced by xyz().

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

• src/core/conformation/orbitals/OrbitalXYZCoords.hh