Uses of Enum Class
ffx.xray.RefinementMinimize.RefinementMode
Packages that use RefinementMinimize.RefinementMode
Package
Description
The Real Space package implements real space structure refinement.
The Real Space CLI package defines options for PicoCLI command line scripts.
The X-ray package implements support for X-ray and Neutron refinement.
The X-ray CLI package defines options for PicoCLI command line scripts.
-
Uses of RefinementMinimize.RefinementMode in ffx.realspace
Methods in ffx.realspace that return RefinementMinimize.RefinementModeModifier and TypeMethodDescriptionRealSpaceEnergy.getRefinementMode()
Getter for the fieldrefinementMode
.Methods in ffx.realspace with parameters of type RefinementMinimize.RefinementModeModifier and TypeMethodDescriptionvoid
RealSpaceEnergy.setRefinementMode
(RefinementMinimize.RefinementMode refinementMode) Setter for the fieldrefinementMode
.Constructors in ffx.realspace with parameters of type RefinementMinimize.RefinementModeModifierConstructorDescriptionRealSpaceEnergy
(RealSpaceData realSpaceData, int nxyz, int nb, int nocc, RefinementMinimize.RefinementMode refinementMode) Diffraction data energy target -
Uses of RefinementMinimize.RefinementMode in ffx.realspace.cli
Fields in ffx.realspace.cli declared as RefinementMinimize.RefinementMode -
Uses of RefinementMinimize.RefinementMode in ffx.xray
Methods in ffx.xray that return RefinementMinimize.RefinementModeModifier and TypeMethodDescriptionXRayEnergy.getRefinementMode()
Getter for the fieldrefinementMode
.Parse a string into a refinement mode.Returns the enum constant of this class with the specified name.static RefinementMinimize.RefinementMode[]
RefinementMinimize.RefinementMode.values()
Returns an array containing the constants of this enum class, in the order they are declared.Methods in ffx.xray with parameters of type RefinementMinimize.RefinementModeModifier and TypeMethodDescriptionvoid
CrystalReciprocalSpace.computeAtomicGradients
(double[][] hklData, int[] freer, int flag, RefinementMinimize.RefinementMode refinementMode) compute inverse FFT to determine atomic gradientsvoid
FormFactor.rhoGrad
(double[] xyz, double dfc, RefinementMinimize.RefinementMode refinementmode) Compute the real space gradientvoid
NeutronFormFactor.rhoGrad
(double[] xyz, double dfc, RefinementMinimize.RefinementMode refinementmode) Compute the real space gradientvoid
SolventBinaryFormFactor.rhoGrad
(double[] xyz, double dfc, RefinementMinimize.RefinementMode refinementmode) Derivatives are zero or infinite for the binary model.void
SolventGaussFormFactor.rhoGrad
(double[] xyz, double dfc, RefinementMinimize.RefinementMode refinementmode) Compute the real space gradientvoid
SolventPolyFormFactor.rhoGrad
(double[] xyz, double dfc, RefinementMinimize.RefinementMode refinementmode) Compute the real space gradientvoid
XRayFormFactor.rhoGrad
(double[] xyz, double dfc, RefinementMinimize.RefinementMode refinementMode) Compute the real space gradientvoid
XRayEnergy.setRefinementMode
(RefinementMinimize.RefinementMode refinementmode) Setter for the fieldrefinementMode
.Constructors in ffx.xray with parameters of type RefinementMinimize.RefinementModeModifierConstructorDescriptionRefinementEnergy
(DataContainer data, RefinementMinimize.RefinementMode refinementMode) RefinementEnergy Constructor.RefinementEnergy
(DataContainer data, RefinementMinimize.RefinementMode refinementMode, double[] optimizationScaling) RefinementEnergy Constructor.RefinementMinimize
(DataContainer data, RefinementMinimize.RefinementMode refinementmode) constructor for refinementRefinementMinimize
(DataContainer data, RefinementMinimize.RefinementMode refinementMode, AlgorithmListener listener) constructor for refinementXRayEnergy
(DiffractionData diffractionData, int nXYZ, int nB, int nOCC, RefinementMinimize.RefinementMode refinementMode) Diffraction data energy target -
Uses of RefinementMinimize.RefinementMode in ffx.xray.cli
Fields in ffx.xray.cli declared as RefinementMinimize.RefinementModeModifier and TypeFieldDescriptionprotected RefinementMinimize.RefinementMode
DataRefinementOptions.refinementMode
The refinement mode to use.XrayOptions.refinementMode
The refinement mode to use.