IPotential
, IPotentialMolecular
public class P2MoleculeMonatomic extends java.lang.Object implements IPotentialMolecular
Modifier and Type | Field | Description |
---|---|---|
protected AtomPair |
leafAtoms |
|
protected IPotentialAtomic |
wrappedPotential |
Constructor | Description |
---|---|
P2MoleculeMonatomic(IPotentialAtomic potential) |
Modifier and Type | Method | Description |
---|---|---|
double |
energy(IMoleculeList atoms) |
Returns the interaction energy between the given atoms.
|
double |
getRange() |
Returns the range over which the potential applies.
|
IPotentialAtomic |
getWrappedPotential() |
|
int |
nBody() |
The number of atoms on which the potential depends.
|
void |
setBox(Box box) |
Informs the potential of the box on which it acts so that it can
properly consider the boundaries.
|
void |
setWrappedPotential(IPotentialAtomic newWrappedPotential) |
protected final AtomPair leafAtoms
protected IPotentialAtomic wrappedPotential
public P2MoleculeMonatomic(IPotentialAtomic potential)
public double energy(IMoleculeList atoms)
IPotentialMolecular
energy
in interface IPotentialMolecular
public double getRange()
IPotential
getRange
in interface IPotential
public int nBody()
IPotential
nBody
in interface IPotential
public void setBox(Box box)
IPotential
setBox
in interface IPotential
public IPotentialAtomic getWrappedPotential()
public void setWrappedPotential(IPotentialAtomic newWrappedPotential)