ergo
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Public Member Functions | |
const RadialGrid & | getRadialGrid () 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 RadialGrid * | rGrid |
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] |
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().
Referenced by Stream::saveAtomGridInBox(), and Stream::saveAtomsRecursively().
const RadialGrid* AtomicGrid::rGrid [private] |
Referenced by getRadialGrid(), radius(), charge(), and getPointCount().