Package ffx.xray.commands.test
Class LambdaGradient
java.lang.Object
ffx.utilities.FFXCommand
ffx.algorithms.cli.AlgorithmsCommand
ffx.xray.commands.test.LambdaGradient
The X-ray test Lambda Gradient script.
Usage:
ffxc xray.test.LambdaGradient [options] <filename>
Usage:
ffxc xray.test.LambdaGradient [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
ConstructorsConstructorDescriptionLambdaGradient constructor.LambdaGradient
(FFXBinding binding) LambdaGradient constructor.LambdaGradient
(String[] args) LambdaGradient 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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LambdaGradient
public LambdaGradient()LambdaGradient constructor. -
LambdaGradient
LambdaGradient constructor that sets the command line arguments.- Parameters:
args
- Command line arguments.
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LambdaGradient
LambdaGradient constructor.- Parameters:
binding
- The Binding to use.
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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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