Package ffx.algorithms.commands.test

Class CrystalSearch

java.lang.Object

ffx.utilities.FFXCommand

ffx.algorithms.cli.AlgorithmsCommand

ffx.algorithms.commands.test.CrystalSearch

public class CrystalSearch
extends AlgorithmsCommand

The CrystalSearch script searches for minimum energy polymorphs for a given space group.
Usage:
ffxc test.CrystalSearch [options] <filename>

Field Summary

Fields inherited from class ffx.algorithms.cli.AlgorithmsCommand

activeAssembly, algorithmFunctions, algorithmListener, baseDir

Fields inherited from class ffx.utilities.FFXCommand

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

Constructor Summary

Constructors

Constructor	Description
CrystalSearch()	CrystalSearch Constructor.
CrystalSearch(FFXBinding binding)	CrystalSearch Constructor.
CrystalSearch(String[] args)	CrystalSearch constructor that sets the command line arguments.

Method Summary

Modifier and Type	Method	Description
CrystalSearch	run()	Execute the script.

Methods inherited from class ffx.algorithms.cli.AlgorithmsCommand

destroyPotentials, getActiveAssemblies, getActiveAssembly, getPotentials, getPotentialsFromAssemblies, init, saveDirFile, setBaseDir, updateTitle

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

CrystalSearch

public CrystalSearch()

CrystalSearch Constructor.

CrystalSearch

public CrystalSearch(FFXBinding binding)

CrystalSearch Constructor.

Parameters:

binding - The Binding to use.

CrystalSearch

public CrystalSearch(String[] args)

CrystalSearch constructor that sets the command line arguments.

Parameters:

args - Command line arguments.

Method Details

run

public CrystalSearch run()

Execute the script.

Overrides:

run in class FFXCommand

Returns:

The current FFXCommand.