Class SaveOptions

java.lang.Object
ffx.potential.cli.SaveOptions

public class SaveOptions extends Object
Represents command line options for scripts that save a structure to disc.
Since:
1.0
Author:
Michael J. Schnieders, Jacob M. Litman
  • Field Details

    • constrain

      public boolean constrain
      -c or --constrain Apply geometric constraints before saving.
  • Constructor Details

    • SaveOptions

      public SaveOptions()
  • Method Details

    • preSaveOperations

      public void preSaveOperations(MolecularAssembly molecularAssembly)
      Performs key operations prior to saving to disc, such as application of geometric constraints.
      Parameters:
      molecularAssembly - A MolecularAssembly.
    • preSaveOperations

      public void preSaveOperations(ForceFieldEnergy forceFieldEnergy)
      Performs key operations prior to saving to disc, such as application of geometric constraints.
      Parameters:
      forceFieldEnergy - A ForceFieldEnergy.