Package org.jmol.minimize
Class MinAtom
java.lang.Object
org.jmol.minimize.MinAtom
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Field Summary
FieldsModifier and TypeFieldDescription(package private) int[]
private javajs.util.Lst
<MinBond> javajs.util.BS
javajs.util.BS
double[]
int
double[]
int
(package private) int
int
double
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionvoid
int[]
int
getBondIndex
(int j) getBondTo
(int iAtom) static boolean
(package private) void
set()
toString()
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Field Details
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index
int index -
sType
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atom
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ffAtomType
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ffType
public int ffType -
vdwKey
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coord
public double[] coord -
force
public double[] force -
bonds
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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
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Constructor Details
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MinAtom
MinAtom(int index, Atom atom, double[] coord, int ac)
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Method Details