Package org.jmol.minimize.forcefield
Class MMFFDistanceCalc
- java.lang.Object
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- org.jmol.minimize.forcefield.Calculation
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- org.jmol.minimize.forcefield.MMFFDistanceCalc
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class MMFFDistanceCalc extends Calculation
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Constructor Summary
Constructors Constructor Description MMFFDistanceCalc()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description (package private) double
compute(java.lang.Object[] dataIn)
(package private) void
setData(javajs.util.Lst<java.lang.Object[]> calc, MinBond bond)
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Methods inherited from class org.jmol.minimize.forcefield.Calculation
getEnergy, getPointers, set, setData
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Field Detail
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FSTRETCH
static final double FSTRETCH
- See Also:
- Constant Field Values
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CS
static final double CS
- See Also:
- Constant Field Values
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CS2
static final double CS2
- See Also:
- Constant Field Values
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r0
double r0
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kb
double kb
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delta2
double delta2
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Method Detail
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setData
void setData(javajs.util.Lst<java.lang.Object[]> calc, MinBond bond)
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compute
double compute(java.lang.Object[] dataIn)
- Specified by:
compute
in classCalculation
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