Package ffx.xray

Interface DataContainer

All Known Implementing Classes:
DiffractionData, RealSpaceData
public interface DataContainer
DataContainer interface.
Since:
1.0
Author:
Timothy D. Fenn

  • Method Details

    • getActiveAtomArray

      Atom[] getActiveAtomArray()
      getActiveAtomArray
      Returns:
      an array of Atom objects.

    • getAltMolecules

      List<List<Molecule>> getAltMolecules()
      getAltMolecules
      Returns:
      a List object.

    • getAltResidues

      List<List<Residue>> getAltResidues()
      getAltResidues
      Returns:
      a List object.

    • getAtomArray

      Atom[] getAtomArray()
      getAtomArray
      Returns:
      an array of Atom objects.

    • getMolecularAssemblies

      MolecularAssembly[] getMolecularAssemblies()
      getMolecularAssemblies
      Returns:
      an array of MolecularAssembly objects.

    • getRefinementModel

      RefinementModel getRefinementModel()
      getRefinementModel
      Returns:
      a RefinementModel object.

    • getWeight

      double getWeight()
      getWeight
      Returns:
      the current data weight.

    • setWeight

      void setWeight(double weight)
      setWeight
      Parameters:
      weight - set the overall weight of the data.

    • printEnergyUpdate

      String printEnergyUpdate()
      printEnergyUpdate
      Returns:
      a String object.

    • printOptimizationHeader

      String printOptimizationHeader()
      printOptimizationHeader
      Returns:
      a String object.

    • printOptimizationUpdate

      String printOptimizationUpdate()
      printOptimizationUpdate
      Returns:
      a String object.