Package ffx.realspace.parsers

Class RealSpaceFile

java.lang.Object
ffx.realspace.parsers.RealSpaceFile
public class RealSpaceFile extends Object
RealSpaceFile class.
Since:
1.0
Author:
Timothy D. Fenn

  • Constructor Details

    • RealSpaceFile

      public RealSpaceFile(String filename)
      Read in a Real Space density file and set weight set to 1.0.
      Parameters:
      filename - file name to read in

    • RealSpaceFile

      public RealSpaceFile(String fileName, double weight)
      Read in a Real Space density file.
      Parameters:
      fileName - file name to read in
      weight - the weight of the data

    • RealSpaceFile

      public RealSpaceFile(MolecularAssembly[] assembly)
      Read in a Real Space density file based on the molecular assembly filename, using a weight of 1.0 and neutron value of false.
      Parameters:
      assembly - MolecularAssembly from which a filename will be determined.

    • RealSpaceFile

      public RealSpaceFile(MolecularAssembly assembly)
      Read in a Real Space density file based on the molecular assembly filename, using a weight of 1.0.
      Parameters:
      assembly - MolecularAssembly from which a filename will be determined.

    • RealSpaceFile

      public RealSpaceFile(MolecularAssembly assembly, double weight)
      Read in a Real Space density file based on the molecular assembly filename, using a weight of 1.0.
      Parameters:
      assembly - MolecularAssembly from which a filename will be determined
      weight - the weight of the data

  • Method Details

    • getFilename

      public String getFilename()
      Getter for the field filename.
      Returns:
      the filename

    • getRealSpaceFileFilter

      public RealSpaceFileFilter getRealSpaceFileFilter()
      Getter for the field realSpaceFileFilter.
      Returns:
      the realSpaceFileFilter

    • getWeight

      public double getWeight()
      Return the weight of this dataset.
      Returns:
      weight The weight (wA).