Uses of Enum Class
ffx.numerics.estimator.MultistateBennettAcceptanceRatio.SeedType
Packages that use MultistateBennettAcceptanceRatio.SeedType
Package
Description
The Estimator package implements free energy estimators (e.g., Zwanzig, BAR/MBAR)
and related bootstrapping and reporting utilities.
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Uses of MultistateBennettAcceptanceRatio.SeedType in ffx.numerics.estimator
Methods in ffx.numerics.estimator that return MultistateBennettAcceptanceRatio.SeedTypeModifier and TypeMethodDescriptionReturns the enum constant of this class with the specified name.MultistateBennettAcceptanceRatio.SeedType.values()Returns an array containing the constants of this enum class, in the order they are declared.Methods in ffx.numerics.estimator with parameters of type MultistateBennettAcceptanceRatio.SeedTypeModifier and TypeMethodDescriptionMBARFilter.getMBAR(MultistateBennettAcceptanceRatio.SeedType seedType) Create an MBAR instance with the given seed type.MBARFilter.getMBAR(MultistateBennettAcceptanceRatio.SeedType seedType, double tolerance) Create an MBAR instance with the given seed type and tolerance.MBARFilter.getPeriodComparisonMBAR(MultistateBennettAcceptanceRatio.SeedType seedType, double tolerance) 10% of the total samples at different time points.Constructors in ffx.numerics.estimator with parameters of type MultistateBennettAcceptanceRatio.SeedTypeModifierConstructorDescriptionMultistateBennettAcceptanceRatio(double[] lambdaValues, double[][][] energiesAll, double[] temperature, double tolerance, MultistateBennettAcceptanceRatio.SeedType seedType) Constructor for MBAR estimator.MultistateBennettAcceptanceRatio(double[] lambdaValues, int[] snaps, double[][] eAllFlat, double[] temperature, double tolerance, MultistateBennettAcceptanceRatio.SeedType seedType)