Uses of Class
ffx.xray.RefinementEnergy

Packages that use RefinementEnergy

Package	Description
ffx.realspace.cli	The Real Space CLI package defines options for PicoCLI command line scripts.
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 RefinementEnergy in ffx.realspace.cli

Methods in ffx.realspace.cli that return RefinementEnergy

Modifier and Type	Method	Description
RefinementEnergy	RealSpaceOptions.toRealSpaceEnergy(List<String> filenames, MolecularAssembly[] molecularAssemblies)	Process input from opened molecular assemblies to a RefinementEnergy

Uses of RefinementEnergy in ffx.xray

Methods in ffx.xray that return RefinementEnergy

Modifier and Type	Method	Description
RefinementEnergy	RefinementMinimize.minimize()	Minimizes the refinement energy using a default gradient root mean square (RMS) value of 1.0.
RefinementEnergy	RefinementMinimize.minimize(double eps)	Minimizes the refinement energy using a specified gradient root mean square (RMS) value.
RefinementEnergy	RefinementMinimize.minimize(double eps, int maxIterations)	Minimizes the refinement energy using a specified gradient root mean square (RMS) value and maximum number of iterations.
RefinementEnergy	RefinementMinimize.minimize(int maxIterations)	Minimizes the refinement energy with a specified maximum number of iterations, using a gradient RMS value of 1.0 and default matrix conditioning cycles.
RefinementEnergy	RefinementMinimize.minimize(int m, double eps, int maxiter)	Minimizes the refinement energy using the provided matrix conditioning cycles, gradient RMS value, and a maximum number of iterations.

Uses of RefinementEnergy in ffx.xray.cli

Methods in ffx.xray.cli that return RefinementEnergy

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