Package ffx.algorithms.commands
Class Anneal
java.lang.Object
ffx.utilities.FFXCommand
ffx.algorithms.cli.AlgorithmsCommand
ffx.algorithms.commands.Anneal
The Anneal script.
Usage:
ffxc Anneal [options] <filename>
Usage:
ffxc Anneal [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
ConstructorsConstructorDescriptionAnneal()
Anneal Constructor.Anneal
(FFXBinding binding) Anneal Constructor.Anneal constructor that sets the command line arguments. -
Method Summary
Modifier and TypeMethodDescriptionboolean
Reclaims resources associated with all Potential objects associated with this script.Get the SimulatedAnnealing object.Returns a List of all Potential objects associated with this script.run()
Execute this Command.Methods inherited from class ffx.algorithms.cli.AlgorithmsCommand
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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Anneal
public Anneal()Anneal Constructor. -
Anneal
Anneal Constructor.- Parameters:
binding
- The Binding to use.
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Anneal
Anneal constructor that sets the command line arguments.- Parameters:
args
- Command line arguments.
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Method Details
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run
Execute this Command.- Overrides:
run
in classFFXCommand
- Returns:
- The current FFXCommand.
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getAnnealing
Get the SimulatedAnnealing object.- Returns:
- The SimulatedAnnealing instance.
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getPotentials
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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destroyPotentials
public boolean destroyPotentials()Reclaims resources associated with all Potential objects associated with this script.- Overrides:
destroyPotentials
in classAlgorithmsCommand
- Returns:
- If all Potentials had resources reclaimed.
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