Class ShelXWriter

All Implemented Interfaces:
Closeable, AutoCloseable, IChemObjectIO, IChemObjectWriter

public class ShelXWriter extends DefaultChemObjectWriter

Serializes a MoleculeSet or a Molecule object to ShelX code. The output can be read with Platon.

Author:
Egon Willighagen
Source code:
main
Belongs to CDK module:
extra
Keywords:
file format, ShelX
  • Constructor Details

    • ShelXWriter

      public ShelXWriter(Writer out)
      Constructs a new ShelXWriter class. Output will be stored in the Writer class given as parameter.
      Parameters:
      out - Writer to redirect the output to.
    • ShelXWriter

      public ShelXWriter(OutputStream output)
    • ShelXWriter

      public ShelXWriter()
  • Method Details

    • getFormat

      public IResourceFormat getFormat()
      Description copied from interface: IChemObjectIO
      Returns the IResourceFormat class for this IO class.
    • setWriter

      public void setWriter(Writer out) throws CDKException
      Description copied from interface: IChemObjectWriter
      Sets the Writer from which this ChemObjectWriter should write the contents.
      Throws:
      CDKException
    • setWriter

      public void setWriter(OutputStream output) throws CDKException
      Description copied from interface: IChemObjectWriter
      Sets the OutputStream from which this ChemObjectWriter should write the contents.
      Throws:
      CDKException
    • close

      public void close() throws IOException
      Flushes the output and closes this object.
      Throws:
      IOException - when the wrapper IO class cannot be closed.
    • accepts

      public boolean accepts(Class<? extends IChemObject> classObject)
      Description copied from interface: IChemObjectIO
      Returns whether the given IChemObject can be read or written.
      Parameters:
      classObject - IChemObject of which is tested if it can be handled.
      Returns:
      true, if the IChemObject can be handled.
    • write

      public void write(IChemObject object) throws CDKException
      Serializes the IChemObject to ShelX and redirects it to the output Writer.
      Parameters:
      object - A Molecule of MoleculeSet object
      Throws:
      CDKException - is thrown if the output does not support the data in the object