Class PositionConstraint
- java.lang.Object
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- com.actelion.research.chem.potentialenergy.PositionConstraint
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- All Implemented Interfaces:
PotentialEnergyTerm
public class PositionConstraint extends java.lang.Object implements PotentialEnergyTerm
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Constructor Summary
Constructors Constructor Description PositionConstraint(Conformer conf, int atom, double k, double d)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description double
getFGValue(double[] gradient)
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Constructor Detail
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PositionConstraint
public PositionConstraint(Conformer conf, int atom, double k, double d)
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Method Detail
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getFGValue
public double getFGValue(double[] gradient)
- Specified by:
getFGValue
in interfacePotentialEnergyTerm
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