Package ffx.realspace.commands
Class Dynamics
java.lang.Object
ffx.utilities.FFXCommand
ffx.algorithms.cli.AlgorithmsCommand
ffx.realspace.commands.Dynamics
The Real Space Dynamics script.
Usage:
ffxc realspace.Dynamics [options] <filename>
Usage:
ffxc realspace.Dynamics [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, logger, parseResult, version
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Constructor Summary
ConstructorsConstructorDescriptionDynamics()
Dynamics constructor.Dynamics
(FFXBinding binding) Dynamics constructor.Dynamics 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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Dynamics
public Dynamics()Dynamics constructor. -
Dynamics
Dynamics constructor that sets the command line arguments.- Parameters:
args
- Command line arguments.
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Dynamics
Dynamics 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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