Package ffx.potential.commands

Class VolumeArc

java.lang.Object

ffx.utilities.FFXCommand

ffx.potential.cli.PotentialCommand

ffx.potential.commands.VolumeArc

public class VolumeArc
extends PotentialCommand

Calculate the surface area and volume using the GaussVol (default) or Connolly algorithm for each snapshot in an ARC file. Usage: ffxc VolumeArc [options] <filename>

Field Summary

Fields

Modifier and Type	Field	Description
double	totalSurfaceArea
double	totalVolume	JUnit Testing Variables.

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
VolumeArc()
VolumeArc(FFXBinding binding)
VolumeArc(String[] args)

Method Summary

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

Methods inherited from class ffx.potential.cli.PotentialCommand

destroyPotentials, getActiveAssemblies, getActiveAssembly, getBaseDirString, getPotentials, 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

totalVolume

public double totalVolume

JUnit Testing Variables.

totalSurfaceArea

public double totalSurfaceArea

Constructor Details

VolumeArc

public VolumeArc()

VolumeArc

public VolumeArc(FFXBinding binding)

VolumeArc

public VolumeArc(String[] args)

Method Details

run

public VolumeArc run()

Description copied from class: FFXCommand

Execute this Command.

Overrides:

run in class FFXCommand

Returns:

The current FFXCommand.