Package org.jmol.minimize
Class MinAtom
- java.lang.Object
-
- org.jmol.minimize.MinAtom
-
public class MinAtom extends Object
-
-
Field Summary
Fields Modifier and Type Field Description Atom
atom
(package private) int[]
bondedAtoms
private javajs.util.Lst<MinBond>
bonds
javajs.util.BS
bs14
javajs.util.BS
bsVdw
double[]
coord
AtomType
ffAtomType
int
ffType
double[]
force
int
hCount
(package private) int
index
int
nBonds
double
partialCharge
String
sType
Integer
vdwKey
-
Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description void
addBond(MinBond bond, int i)
int[]
getBondedAtomIndexes()
int
getBondIndex(int j)
MinBond
getBondTo(int iAtom)
String
getIdentity()
static boolean
isLinear(MinAtom minAtom)
(package private) void
set()
String
toString()
-
-
-
Field Detail
-
index
int index
-
sType
public String sType
-
atom
public Atom atom
-
ffAtomType
public AtomType ffAtomType
-
ffType
public int ffType
-
vdwKey
public Integer vdwKey
-
coord
public double[] coord
-
force
public double[] force
-
bonds
private javajs.util.Lst<MinBond> bonds
-
nBonds
public int nBonds
-
hCount
public int hCount
-
partialCharge
public double partialCharge
-
bsVdw
public javajs.util.BS bsVdw
-
bs14
public javajs.util.BS bs14
-
bondedAtoms
int[] bondedAtoms
-
-
Constructor Detail
-
MinAtom
MinAtom(int index, Atom atom, double[] coord, int ac)
-
-
Method Detail
-
set
void set()
-
getBondTo
public MinBond getBondTo(int iAtom)
-
getBondedAtomIndexes
public int[] getBondedAtomIndexes()
-
getIdentity
public String getIdentity()
-
addBond
public void addBond(MinBond bond, int i)
-
getBondIndex
public int getBondIndex(int j)
-
isLinear
public static boolean isLinear(MinAtom minAtom)
-
-