gov.nasa.javaGenes.forceFields
Class MMEFreferenceRMS
java.lang.Object
gov.nasa.javaGenes.core.FitnessFunction
gov.nasa.javaGenes.forceFields.ManyMoleculesEnergyFitness
gov.nasa.javaGenes.forceFields.MMEFreferenceRMS
- All Implemented Interfaces:
- java.io.Serializable
- Direct Known Subclasses:
- MMEFreferenceTanimoto
- public class MMEFreferenceRMS
- extends ManyMoleculesEnergyFitness
the first cluster in the ManyMultiBodiesForOneEnergy is used to calulate differences from
- See Also:
- Serialized Form
Constructor Summary |
MMEFreferenceRMS(Potential p,
ManyMultiBodiesForOneEnergy m,
boolean inDoPerAtomEnergies)
|
MMEFreferenceRMS(Potential p,
ManyMultiBodiesForOneEnergy m,
double inEnergyRangeDivideBy,
double referenceEnergy)
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MMEFreferenceRMS(Potential p,
ManyMultiBodiesForOneEnergy m,
double inEnergyRangeDivideBy,
double inReferenceEnergy,
double referenceEnergyLowerBound,
double referenceEnergyUpperBound,
boolean inDoPerAtomEnergies)
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Methods inherited from class gov.nasa.javaGenes.forceFields.ManyMoleculesEnergyFitness |
add, addEnergy, addToEnergies, calculateEnergy, evaluateFitness, getEnergy, getEnergyInterval, getFilename, getMultiBodiesForOneEnergy, multiplyEnergiesBy, report, scaleEnergiesTo, setEnergy, setFilename, toString |
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait |
referenceEnergy
protected double referenceEnergy
referenceEnergyUncertainty
protected DoubleInterval referenceEnergyUncertainty
energyRangeDivideBy
protected double energyRangeDivideBy
targetReferenceEnergy
protected double targetReferenceEnergy
MMEFreferenceRMS
public MMEFreferenceRMS(Potential p,
ManyMultiBodiesForOneEnergy m,
double inEnergyRangeDivideBy,
double inReferenceEnergy,
double referenceEnergyLowerBound,
double referenceEnergyUpperBound,
boolean inDoPerAtomEnergies)
MMEFreferenceRMS
public MMEFreferenceRMS(Potential p,
ManyMultiBodiesForOneEnergy m,
double inEnergyRangeDivideBy,
double referenceEnergy)
MMEFreferenceRMS
public MMEFreferenceRMS(Potential p,
ManyMultiBodiesForOneEnergy m,
boolean inDoPerAtomEnergies)
calculateDistance
protected double calculateDistance(double energyToCheck,
double targetEnergy)
- Overrides:
calculateDistance
in class ManyMoleculesEnergyFitness
calculateDelta
protected double calculateDelta(double energy,
double target)