Class CDKSourceCodeWriter

  • All Implemented Interfaces:
    Closeable, AutoCloseable, IChemObjectIO, IChemObjectWriter

    public class CDKSourceCodeWriter
    extends DefaultChemObjectWriter
    Converts a Molecule into CDK source code that would build the same molecule. It's typical use is:
     StringWriter stringWriter = new StringWriter();
     ChemObjectWriter writer = new CDKSourceCodeWriter(stringWriter);
     writer.write((Molecule)molecule);
     writer.close();
     System.out.print(stringWriter.toString());
     
    Author:
    Egon Willighagen <egonw@sci.kun.nl>
    Source code:
    main
    IO options:
    NameQuestionDefault
    write3DCoordinatesShould 3D coordinates be added?true
    builderWhich IChemObjectBuilder should be used?DefaultChemObjectBuilder
    write2DCoordinatesShould 2D coordinates be added?true
    Belongs to CDK module:
    io
    Keywords:
    file format, CDK source code
    Created on:
    2003-10-01
    • Constructor Detail

      • CDKSourceCodeWriter

        public CDKSourceCodeWriter​(Writer out)
        Constructs a new CDKSourceCodeWriter.
        Parameters:
        out - The Writer to write to
      • CDKSourceCodeWriter

        public CDKSourceCodeWriter​(OutputStream out)
      • CDKSourceCodeWriter

        public CDKSourceCodeWriter()
    • Method Detail

      • 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
        Description copied from interface: IChemObjectWriter
        Writes the content of "object" to output.
        Parameters:
        object - the object of which the content is outputted
        Throws:
        CDKException - is thrown if the output does not support the data in the object
      • getSupportedDataFeatures

        public int getSupportedDataFeatures()
      • getRequiredDataFeatures

        public int getRequiredDataFeatures()