Package ffx.algorithms.commands.test
Class CrystalSearch
java.lang.Object
ffx.utilities.FFXCommand
ffx.algorithms.cli.AlgorithmsCommand
ffx.algorithms.commands.test.CrystalSearch
The CrystalSearch script searches for minimum energy polymorphs for a given space group.
Usage:
ffxc test.CrystalSearch [options] <filename>
Usage:
ffxc test.CrystalSearch [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
ConstructorsConstructorDescriptionCrystalSearch Constructor.CrystalSearch
(FFXBinding binding) CrystalSearch Constructor.CrystalSearch
(String[] args) CrystalSearch constructor that sets the command line arguments. -
Method Summary
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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CrystalSearch
public CrystalSearch()CrystalSearch Constructor. -
CrystalSearch
CrystalSearch Constructor.- Parameters:
binding
- The Binding to use.
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CrystalSearch
CrystalSearch constructor that sets the command line arguments.- Parameters:
args
- Command line arguments.
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Method Details
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run
Execute the script.- Overrides:
run
in classFFXCommand
- Returns:
- The current FFXCommand.
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