Uses of Enum Class
ffx.xray.refine.RefinementMode
Packages that use RefinementMode
Package
Description
The X-ray package implements support for X-ray and Neutron refinement.
The X-ray CLI package defines options for PicoCLI command line scripts.
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Uses of RefinementMode in ffx.xray
Methods in ffx.xray with parameters of type RefinementModeModifier and TypeMethodDescriptionvoidCrystalReciprocalSpace.computeAtomicGradients(double[][] hklData, int[] freer, int flag, RefinementMode refinementMode) compute inverse FFT to determine atomic gradients -
Uses of RefinementMode in ffx.xray.cli
Fields in ffx.xray.cli declared as RefinementModeModifier and TypeFieldDescriptionprotected RefinementModeDataRefinementOptions.refinementModeThe refinement mode to use.XrayOptions.refinementModeThe refinement mode to use. -
Uses of RefinementMode in ffx.xray.refine
Methods in ffx.xray.refine that return RefinementModeModifier and TypeMethodDescriptionRefinementModel.getRefinementMode()Retrieves the current refinement mode set in the object.static RefinementModeParse a string into a refinement mode.static RefinementModeReturns the enum constant of this class with the specified name.static RefinementMode[]RefinementMode.values()Returns an array containing the constants of this enum class, in the order they are declared.Methods in ffx.xray.refine with parameters of type RefinementModeModifier and TypeMethodDescriptionvoidRefinementModel.setRefinementMode(RefinementMode mode) Sets the refinement mode and adjusts the refined parameters based on the provided mode.Constructors in ffx.xray.refine with parameters of type RefinementModeModifierConstructorDescriptionRefinementModel(RefinementMode refinementMode, MolecularAssembly[] molecularAssemblies) Constructor for RefinementModel. -
Uses of RefinementMode in ffx.xray.scatter
Methods in ffx.xray.scatter with parameters of type RefinementModeModifier and TypeMethodDescriptionvoidFormFactor.rhoGrad(double[] xyz, double dfc, RefinementMode refinementmode) Compute the real space gradientvoidNeutronFormFactor.rhoGrad(double[] xyz, double dfc, RefinementMode refinementmode) Compute the real space gradientvoidSolventBinaryFormFactor.rhoGrad(double[] xyz, double dfc, RefinementMode refinementmode) Derivatives are zero or infinite for the binary model.voidSolventGaussFormFactor.rhoGrad(double[] xyz, double dfc, RefinementMode refinementmode) Compute the real space gradientvoidSolventPolyFormFactor.rhoGrad(double[] xyz, double dfc, RefinementMode refinementmode) Compute the real space gradientvoidXRayFormFactor.rhoGrad(double[] xyz, double dfc, RefinementMode refinementMode) Compute the real space gradient