public class MinAtom
extends java.lang.Object
Modifier and Type | Field and Description |
---|---|
Atom |
atom |
(package private) int[] |
bondedAtoms |
java.util.List |
bonds |
double[] |
coord |
double[] |
force |
int |
hCount |
(package private) int |
index |
int |
nBonds |
java.lang.String |
type |
Constructor and Description |
---|
MinAtom(int index,
Atom atom,
double[] coord,
java.lang.String type) |
Modifier and Type | Method and Description |
---|---|
int[] |
getBondedAtomIndexes() |
MinBond |
getBondTo(int iAtom) |
java.lang.String |
getIdentity() |
(package private) void |
set() |
java.lang.String |
toString() |
int index
public Atom atom
public double[] coord
public double[] force
public java.util.List bonds
public int nBonds
public int hCount
public java.lang.String type
int[] bondedAtoms
MinAtom(int index, Atom atom, double[] coord, java.lang.String type)
public java.lang.String toString()
toString
in class java.lang.Object
void set()
public MinBond getBondTo(int iAtom)
public int[] getBondedAtomIndexes()
public java.lang.String getIdentity()