Class GenZ


public class GenZ extends AlgorithmsCommand
The GenZ script for calculating free energy changes.
Usage:
ffxc xray.GenZ [options] <filename>
  • Constructor Details

    • GenZ

      public GenZ()
      GenZ Constructor.
    • GenZ

      public GenZ(String[] args)
      GenZ constructor that sets the command line arguments.
      Parameters:
      args - Command line arguments.
    • GenZ

      public GenZ(FFXBinding binding)
      GenZ Constructor.
      Parameters:
      binding - The Binding to use.
  • Method Details

    • run

      public GenZ run()
      Execute this Command.
      Overrides:
      run in class FFXCommand
      Returns:
      The current FFXCommand.
    • getPotentials

      public List<Potential> getPotentials()
      Description copied from class: AlgorithmsCommand
      Returns a List of all Potential objects associated with this script.
      Overrides:
      getPotentials in class AlgorithmsCommand
      Returns:
      All Potentials. Sometimes empty, never null.