Package org.jmol.minimize.forcefield
Class MMFFSBCalc
- java.lang.Object
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- org.jmol.minimize.forcefield.Calculation
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- org.jmol.minimize.forcefield.MMFFSBCalc
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class MMFFSBCalc extends Calculation
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Constructor Summary
Constructors Constructor Description MMFFSBCalc()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description (package private) doublecompute(java.lang.Object[] dataIn)(package private) voidsetData(javajs.util.Lst<java.lang.Object[]> calc, MinAngle angle)-
Methods inherited from class org.jmol.minimize.forcefield.Calculation
getEnergy, getPointers, set, setData
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Method Detail
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setData
void setData(javajs.util.Lst<java.lang.Object[]> calc, MinAngle angle)
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compute
double compute(java.lang.Object[] dataIn)
- Specified by:
computein classCalculation
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