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class SnapShot
{
%TypeHeaderCode
#include <BALL/MOLMEC/COMMON/snapShot.h>
%End
public:
SnapShot() throw();
SnapShot(const SnapShot&) throw();
~SnapShot() throw();
virtual void clear() throw();
bool operator == (const SnapShot&) const throw();
bool isValid() const throw();
void setIndex(Size) throw();
Size getIndex() const throw();
void setNumberOfAtoms(Size) throw();
Size getNumberOfAtoms() const throw();
void setPotentialEnergy(DoubleReal) throw();
DoubleReal getPotentialEnergy() const throw();
void setKineticEnergy(DoubleReal) throw();
DoubleReal getKineticEnergy() const throw();
void takeSnapShot(const System&) throw(OutOfMemory);
void applySnapShot(System&) const throw();
void getAtomPositions(const System&) throw(OutOfMemory);
void setAtomPositions(System&) const throw();
void getAtomVelocities(const System&) throw(OutOfMemory);
void setAtomVelocitites(System&) const throw();
void getAtomForces(const System&) throw(OutOfMemory);
void setAtomForces(System&) const throw();
};
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