Uses of Class
ffx.xray.DiffractionData

Packages that use DiffractionData

Package	Description
ffx.realspace	The Real Space package implements real space structure refinement.
ffx.xray	The X-ray package implements support for X-ray and Neutron refinement.
ffx.xray.cli	The X-ray CLI package defines options for PicoCLI command line scripts.

Uses of DiffractionData in ffx.realspace

Constructors in ffx.realspace with parameters of type DiffractionData

Modifier	Constructor	Description
	RealSpaceData(MolecularAssembly[] molecularAssemblies, org.apache.commons.configuration2.CompositeConfiguration properties, ParallelTeam parallelTeam, DiffractionData diffractionData)	Construct a real space data molecularAssemblies, assumes a real space map with a weight of 1.0 using the same name as the molecularAssemblies.
	RealSpaceData(MolecularAssembly molecularAssembly, org.apache.commons.configuration2.CompositeConfiguration properties, ParallelTeam parallelTeam, DiffractionData diffractionData)	Construct a real space data molecularAssemblies, assumes a real space map with a weight of 1.0 using the same name as the molecular molecularAssemblies.

Uses of DiffractionData in ffx.xray

Constructors in ffx.xray with parameters of type DiffractionData

Modifier	Constructor	Description
	XRayEnergy(DiffractionData diffractionData, int nXYZ, int nB, int nOCC, RefinementMinimize.RefinementMode refinementMode)	Diffraction data energy target

Uses of DiffractionData in ffx.xray.cli

Methods in ffx.xray.cli that return DiffractionData

Modifier and Type	Method	Description
DiffractionData	XrayOptions.getDiffractionData(List<String> filenames, MolecularAssembly[] assemblies, org.apache.commons.configuration2.CompositeConfiguration properties)	Process input from opened molecular assemblies to a DiffractionData.

Methods in ffx.xray.cli with parameters of type DiffractionData

Modifier and Type	Method	Description
RefinementEnergy	XrayOptions.toXrayEnergy(DiffractionData diffractionData)	Process input from opened molecular assemblies and diffraction data to a RefinementEnergy.