Class ANIExternal

java.lang.Object

ffx.utilities.FFXCommand

ffx.potential.cli.PotentialCommand

ffx.potential.commands.ANIExternal

public class ANIExternal
extends PotentialCommand

The ANIExternal command evaluates the ANI2x energy of a system using an external GraalPy subprocess.

Field Summary

Fields inherited from class PotentialCommand

activeAssembly, baseDir, potentialFunctions

Fields inherited from class FFXCommand

args, binding, color, help, logger, parseResult, version

Constructor Summary

Constructors

Constructor	Description
ANIExternal()
ANIExternal(FFXBinding binding)
ANIExternal(String[] args)

Method Summary

Modifier and Type	Method	Description
ANIExternal	run()	Execute this Command.

Methods inherited from class PotentialCommand

createOutputFile, destroyPotentials, getActiveAssemblies, getActiveAssembly, getActiveAssembly, getBaseDirString, getPotentials, getPotentialsFromAssemblies, init, parseFilePath, saveByExtension, saveByExtension, saveByOriginalExtension, saveByOriginalExtension, setActiveAssembly

Methods inherited from class FFXCommand

getCommand, helpString, listCommands, setBinding

Methods inherited from class Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

ANIExternal

public ANIExternal()

ANIExternal

public ANIExternal(FFXBinding binding)

ANIExternal

public ANIExternal(String[] args)

Method Details

run

public ANIExternal run()

Description copied from class: FFXCommand

Execute this Command.

Overrides:

run in class FFXCommand

Returns:

The current FFXCommand.