ergo
AtomicGrid Class Reference

Public Member Functions

const RadialGridgetRadialGrid () const
real radius () const
 Returns "radius" of an atomic grid.
int charge () const
unsigned getPointCount () const
 AtomicGrid (const AtomicGrid &a)
 AtomicGrid (const real c[3], const RadialGrid *rg)
 AtomicGrid (const Atom &atom, const RadialGrid *rg)

Public Attributes

Vector3D center

Private Attributes

const RadialGridrGrid

Constructor & Destructor Documentation

AtomicGrid::AtomicGrid ( const AtomicGrid a)
inline
AtomicGrid::AtomicGrid ( const real  c[3],
const RadialGrid rg 
)
inline
AtomicGrid::AtomicGrid ( const Atom atom,
const RadialGrid rg 
)
inline

Member Function Documentation

int AtomicGrid::charge ( ) const
inline

References RadialGrid::getCharge(), and rGrid.

unsigned AtomicGrid::getPointCount ( ) const
inline

References RadialGrid::getPointCount(), and rGrid.

Referenced by Stream::addAtom().

const RadialGrid& AtomicGrid::getRadialGrid ( ) const
inline

References rGrid.

Referenced by Stream::saveAtomGridInBox().

real AtomicGrid::radius ( ) const
inline

Returns "radius" of an atomic grid.

It stretches really bit longer than the last grid point.

References RadialGrid::getRadius(), and rGrid.

Referenced by Stream::saveAtomsRecursively().

Member Data Documentation

const RadialGrid* AtomicGrid::rGrid
private

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