Detailed Description

An interface to an MdSystem.

Definition at line 30 of file MdSystemInterface.h.

Inheritance diagram for McMd::MdSystemInterface:

Public Member Functions
	MdSystemInterface (MdSystem &mdSystem)
	Constructor. More...

virtual	~MdSystemInterface ()
	Destructor. More...

Public Member Functions inherited from McMd::SystemInterface
	SystemInterface (System &parent)
	Constructor. More...

virtual	~SystemInterface ()
	Destructor. More...

System &	system () const
	Get the parent System by reference. More...

Protected Member Functions
MdPairPotential &	pairPotential () const
	Get the MdPairPotential. More...

BondPotential &	bondPotential () const
	Get the BondPotential. More...

AnglePotential &	anglePotential () const
	Get the AnglePotential. More...

DihedralPotential &	dihedralPotential () const
	Get the DihedralPotential. More...

ExternalPotential &	externalPotential () const
	Get the ExternalPotential. More...

Protected Member Functions inherited from McMd::SystemInterface
Boundary &	boundary () const
	Get the Boundary by reference. More...

Simulation &	simulation () const
	Get the parent Simulation by reference. More...

int	nMolecule (int speciesId) const
	Get the number of molecules of one Species in this SystemInterface. More...

int	nAtom () const
	Return the total number of atoms in this SystemInterface. More...

bool	isEmpty () const
	Is this an empty SystemInterface (i.e., one with no molecules) ? More...

void	begin (int speciesId, System::MoleculeIterator &iterator)
	Initialize an iterator for molecules of one species in this SystemInterface. More...

void	begin (int speciesId, System::ConstMoleculeIterator &iterator) const
	Initialize a const iterator for molecules of one species in this SystemInterface. More...

bool	hasBonds () const
	Does a bond potential exist? More...

bool	hasAngles () const
	Does an angle potential exist? More...

bool	hasDihedrals () const
	Does a dihedral potential exist? More...

bool	hasLinks () const
	Does a link potential exist? More...

bool	hasExternal () const
	Does an external potential exist? More...