Package ffx.xray.commands.test
Class Alchemical
java.lang.Object
ffx.utilities.FFXCommand
ffx.algorithms.cli.AlgorithmsCommand
ffx.xray.commands.test.Alchemical
The Alchemical Changes script.
Usage:
ffxc xray.Alchemical [options] <filename>
Usage:
ffxc xray.Alchemical [options] <filename>
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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, parseResult, version
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Constructor Summary
ConstructorsConstructorDescriptionAlchemical constructor.Alchemical
(FFXBinding binding) Alchemical constructor.Alchemical
(String[] args) Alchemical constructor that sets the command line arguments. -
Method Summary
Modifier and TypeMethodDescriptionReturns a List of all Potential objects associated with this script.run()
Execute this Command.Methods inherited from class ffx.algorithms.cli.AlgorithmsCommand
destroyPotentials, getActiveAssemblies, getActiveAssembly, init, saveDirFile, setActiveAssembly, setBaseDir, updateTitle
Methods inherited from class ffx.utilities.FFXCommand
getCommand, helpString, listCommands, setBinding
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Constructor Details
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Alchemical
public Alchemical()Alchemical constructor. -
Alchemical
Alchemical constructor that sets the command line arguments.- Parameters:
args
- Command line arguments.
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Alchemical
Alchemical constructor.- Parameters:
binding
- The Binding to use.
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Method Details
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run
Description copied from class:FFXCommand
Execute this Command.- Overrides:
run
in classFFXCommand
- Returns:
- The current FFXCommand.
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getPotentials
Description copied from class:AlgorithmsCommand
Returns a List of all Potential objects associated with this script.- Overrides:
getPotentials
in classAlgorithmsCommand
- Returns:
- All Potentials. Sometimes empty, never null.
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