Package ffx.potential.commands

Class Cart2Frac

java.lang.Object

ffx.utilities.FFXCommand

ffx.potential.cli.PotentialCommand

ffx.potential.commands.Cart2Frac

public class Cart2Frac
extends PotentialCommand

Convert from Cartesian to fractional coordinates.

Usage: ffxc Cart2Frac <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
Cart2Frac()
Cart2Frac(FFXBinding binding)
Cart2Frac(String[] args)

Method Summary

Modifier and Type	Method	Description
double[][][]	getCart()	Return Cartesian Coordinate input.
double[][][]	getFrac()	Return Fractional Coordinate output.
List<Potential>	getPotentials()	Returns a List of all Potential objects associated with this command.
Cart2Frac	run()	Execute this Command.

Methods inherited from class ffx.potential.cli.PotentialCommand

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

Cart2Frac

public Cart2Frac()

Cart2Frac

public Cart2Frac(FFXBinding binding)

Cart2Frac

public Cart2Frac(String[] args)

Method Details

getCart

public double[][][] getCart()

Return Cartesian Coordinate input.

getFrac

public double[][][] getFrac()

Return Fractional Coordinate output.

run

public Cart2Frac 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 command. 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.