Output
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This submodule provides functions to write output in kf format.

pyCRS.Output.write_kf(molecule: pyCRS_internal.Molecule, filename: str) -> None

   writes a molecule to a kf file with the name <filename>.  The saved
   file can then be used directly with AMS COSMO-RS/-SAC.

   Parameters:
      * **molecule** ("pyCRS.Molecule") -- the molecule to write to kf

      * **filename** ("str") -- the filename for the output file.  If
        the filename does not end with ".compkf", then this extension
        is appended

   -[ Example ]-

      import pyCRS
      mol = pyCRS.Input.read_smiles("c1ccccc1(OCC)")
      pyCRS.FastSigma.estimate(mol)
      pyCRS.Output.write_kf(mol,"example.compkf")
