Package ffx.algorithms.commands.test
Class MostBar
java.lang.Object
ffx.utilities.FFXCommand
ffx.algorithms.cli.AlgorithmsCommand
ffx.algorithms.commands.test.MostBar
The MostBar script uses a single set of archive file(s) from a Metropolized
Orthogonal Space Tempering run to evaluate free energy via the Bennett Acceptance Ratio
Usage:
ffxc test.MostBar [options] <structures1>
Usage:
ffxc test.MostBar [options] <structures1>
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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
ConstructorsConstructorDescriptionMostBar()
MostBar Constructor.MostBar
(FFXBinding binding) MostBar Constructor.MostBar constructor that sets the command line arguments. -
Method Summary
Modifier and TypeMethodDescriptionrun()
Execute this Command.void
setProperties
(org.apache.commons.configuration2.CompositeConfiguration addedProperties) Methods inherited from class ffx.algorithms.cli.AlgorithmsCommand
destroyPotentials, getActiveAssemblies, getActiveAssembly, getPotentials, 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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MostBar
public MostBar()MostBar Constructor. -
MostBar
MostBar Constructor.- Parameters:
binding
- The Binding to use.
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MostBar
MostBar constructor that sets the command line arguments.- Parameters:
args
- Command line arguments.
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Method Details
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setProperties
public void setProperties(org.apache.commons.configuration2.CompositeConfiguration addedProperties) -
run
Execute this Command.- Overrides:
run
in classFFXCommand
- Returns:
- The current FFXCommand.
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