CoordinatePairSet
public class CoordinatePairLeafSet extends java.lang.Object implements CoordinatePairSet
Modifier and Type | Field | Description |
---|---|---|
protected Vector |
dr |
|
protected long |
ID |
|
protected int |
numAtoms |
|
protected Vector[] |
positions |
|
protected double[] |
r2 |
Constructor | Description |
---|---|
CoordinatePairLeafSet(IAtomList list,
Space space) |
Constructor for CoordinatePairLeafSet.
|
Modifier and Type | Method | Description |
---|---|---|
void |
E(CoordinatePairLeafSet c) |
|
long |
getID() |
|
double |
getr2(int i,
int j) |
Returns atom pair for ith and jth atoms in set.
|
void |
reset(long cPairID) |
Informs the CoordinatePairSet that the configuration has changed and that it
has a new ID
|
protected final double[] r2
protected final Vector[] positions
protected final int numAtoms
protected final Vector dr
protected long ID
public double getr2(int i, int j)
getr2
in interface CoordinatePairSet
public void reset(long cPairID)
CoordinatePairSet
reset
in interface CoordinatePairSet
public void E(CoordinatePairLeafSet c)
public long getID()
getID
in interface CoordinatePairSet