ergo
AtomicGrid Class Reference

List of all members.

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 rGrid, and RadialGrid::getCharge().

unsigned AtomicGrid::getPointCount ( ) const [inline]

References rGrid, and RadialGrid::getPointCount().

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 rGrid, and RadialGrid::getRadius().

Referenced by Stream::saveAtomsRecursively().


Member Data Documentation


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