Package ffx.potential.commands

Class Frac2Cart

java.lang.Object

ffx.utilities.FFXCommand

ffx.potential.cli.PotentialCommand

ffx.potential.commands.Frac2Cart

public class Frac2Cart
extends PotentialCommand

Convert from fractional to Cartesian coordinates. Usage: ffxc Frac2Cart <filename>

Field Summary

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
Frac2Cart()
Frac2Cart(FFXBinding binding)
Frac2Cart(String[] args)

Method Summary

Modifier and Type	Method	Description
double[][]	getCart()	Return Cartesian Coordinate output.
double[][]	getFrac()	Return Fractional Coordinate input.
List<Potential>	getPotentials()	Returns a List of all Potential objects associated with this script.
Frac2Cart	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

Constructor Details

Frac2Cart

public Frac2Cart()

Frac2Cart

public Frac2Cart(FFXBinding binding)

Frac2Cart

public Frac2Cart(String[] args)

Method Details

getCart

public double[][] getCart()

Return Cartesian Coordinate output.

getFrac

public double[][] getFrac()

Return Fractional Coordinate input.

run

public Frac2Cart 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.