Package ffx.potential.commands

Class PrepareSpaceGroups

java.lang.Object

ffx.utilities.FFXCommand

ffx.potential.cli.PotentialCommand

ffx.potential.commands.PrepareSpaceGroups

public class PrepareSpaceGroups
extends PotentialCommand

Create sub-directories for selected space groups. Usage: ffxc PrepareSpaceGroups [options] <filename>

Field Summary

Fields

Modifier and Type	Field	Description
int	numberCreated	Number of directories created.

Fields inherited from class ffx.potential.cli.PotentialCommand

activeAssembly, baseDir, potentialFunctions

Fields inherited from class ffx.utilities.FFXCommand

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

Constructor Summary

Constructors

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

Method Summary

Modifier and Type	Method	Description
List<Potential>	getPotentials()	Returns a List of all Potential objects associated with this script.
PrepareSpaceGroups	run()	Execute this Command.

Methods inherited from class ffx.potential.cli.PotentialCommand

destroyPotentials, getActiveAssemblies, getActiveAssembly, getBaseDirString, init, setActiveAssembly

Methods inherited from class ffx.utilities.FFXCommand

getCommand, helpString, listCommands, setBinding

Methods inherited from class java.lang.Object

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

Field Details

numberCreated

public int numberCreated

Number of directories created.

Constructor Details

PrepareSpaceGroups

public PrepareSpaceGroups()

PrepareSpaceGroups

public PrepareSpaceGroups(FFXBinding binding)

PrepareSpaceGroups

public PrepareSpaceGroups(String[] args)

Method Details

run

public PrepareSpaceGroups run()

Description copied from class: FFXCommand

Execute this Command.

Overrides:

run in class FFXCommand

Returns:

The current FFXCommand.

getPotentials

public List<Potential> getPotentials()

Description copied from class: PotentialCommand

Returns a List of all Potential objects associated with this script. Should be written to tolerate nulls, as many tests run help() and exit without instantiating their Potentials.

Overrides:

getPotentials in class PotentialCommand

Returns:

All Potentials. Sometimes empty, never null.