class CalculationsMMFF.TorsionCalc extends Calculation
Constructor and Description |
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CalculationsMMFF.TorsionCalc() |
Modifier and Type | Method and Description |
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(package private) double |
compute(java.lang.Object[] dataIn) |
(package private) void |
setData(java.util.List<java.lang.Object[]> calc,
MinTorsion t) |
getEnergy, getPointers
void setData(java.util.List<java.lang.Object[]> calc, MinTorsion t)
double compute(java.lang.Object[] dataIn)
compute
in class Calculation