Uses of Interface
ffx.potential.utils.PotentialsFunctions

Packages that use PotentialsFunctions

Package	Description
ffx.algorithms	The Algorithms package has support for local and global optimization, molecular dynamics simulations, and calculation of free energy differences.
ffx.potential.cli	The Potential CLI package defines reusable options for PicoCLI command line scripts.
ffx.potential.utils	The Utils package implements core functionality needed for using the Potential package, such as opening and closing structure files, basic force field energy evaluations, etc.
ffx.ui	The UI package provides views and controllers for manipulating molecular systems.

Uses of PotentialsFunctions in ffx.algorithms

Subinterfaces of PotentialsFunctions in ffx.algorithms

Modifier and Type	Interface	Description
interface	AlgorithmFunctions	AlgorithmFunctions, on top of the core functionality of PotentialsFunctions, describes additional functionality such as molecular dynamics and L-BFGS local optimization.

Classes in ffx.algorithms that implement PotentialsFunctions

Modifier and Type	Class	Description
class	AlgorithmUtils	AlgorithmUtils, on top of the core functionality of PotentialsUtils, implements additional functionality such as molecular dynamics and L-BFGS local optimization.

Uses of PotentialsFunctions in ffx.potential.cli

Fields in ffx.potential.cli declared as PotentialsFunctions

Modifier and Type	Field	Description
PotentialsFunctions	PotentialCommand.potentialFunctions	An instance of PotentialFunctions passed into the current context.
PotentialsFunctions	PotentialScript.potentialFunctions	An instance of PotentialFunctions passed into the current context.

Methods in ffx.potential.cli with parameters of type PotentialsFunctions

Modifier and Type	Method	Description
MolecularAssembly	AlchemicalOptions.openFile(PotentialsFunctions potentialFunctions, TopologyOptions topologyOptions, int threadsPer, String toOpen, int topNum)	Opens a File to a MolecularAssembly for alchemistry.
File	WriteoutOptions.saveFile(String baseFileName, PotentialsFunctions potentialsFunctions, MolecularAssembly molecularAssembly)	Saves a single-snapshot file to either .xyz or .pdb, depending on the value of fileType.

Uses of PotentialsFunctions in ffx.potential.utils

Classes in ffx.potential.utils that implement PotentialsFunctions

Modifier and Type	Class	Description
class	PotentialsUtils	PotentialsUtils implements core functionality for many Force Field X algorithms and scripts, such as opening and closing structure files, basic force field evaluations, etc.

Uses of PotentialsFunctions in ffx.ui

Classes in ffx.ui that implement PotentialsFunctions

Modifier and Type	Class	Description
class	UIUtils	UIUtils implements core and extended functionality for many Force Field X algorithms and scripts, such as opening and closing structure files, basic force field evaluations, molecular dynamics, etc.

Methods in ffx.ui that return PotentialsFunctions

Modifier and Type	Method	Description
PotentialsFunctions	ModelingShell.getUIPotentialsUtils()