Package ffx.algorithms.commands.test
Class OSTGradient
java.lang.Object
ffx.utilities.FFXCommand
ffx.algorithms.cli.AlgorithmsCommand
ffx.algorithms.commands.test.OSTGradient
OSTGradient tests the Orthogonal Space Tempering Potential.
Usage:
ffxc test.OSTGradient [options] <filename>
Usage:
ffxc test.OSTGradient [options] <filename>
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Field Summary
FieldsFields 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
ConstructorsConstructorDescriptionOSTGradient Constructor.OSTGradient
(FFXBinding binding) OSTGradient Constructor.OSTGradient
(String[] args) OSTGradient 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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Field Details
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dUdLError
public double dUdLError -
nFailures
public int nFailures
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Constructor Details
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OSTGradient
public OSTGradient()OSTGradient Constructor. -
OSTGradient
OSTGradient Constructor.- Parameters:
binding
- The Binding to use.
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OSTGradient
OSTGradient 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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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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