Package org.openscience.cdk.io.program

Class Mopac7Writer

java.lang.Object
org.openscience.cdk.io.ChemObjectIO
org.openscience.cdk.io.DefaultChemObjectWriter
org.openscience.cdk.io.program.Mopac7Writer
All Implemented Interfaces:
Closeable, AutoCloseable, IChemObjectIO, IChemObjectWriter
public class Mopac7Writer extends DefaultChemObjectWriter
Prepares input file for running MOPAC. Optimization is switched on if there are no coordinates.
Author:
Nina Jeliazkova <nina@acad.bg>
Source code:
main
Belongs to CDK module:
io

  • Constructor Details

    • Mopac7Writer

      public Mopac7Writer() throws IOException
      Creates a writer to serialize a molecule as Mopac7 input.
      Throws:
      IOException

    • Mopac7Writer

      public Mopac7Writer(OutputStream out) throws IOException
      Creates a writer to serialize a molecule as Mopac7 input. Output is written to the given OutputStream.
      Parameters:
      out - OutputStream to which the output is written
      Throws:
      IOException

    • Mopac7Writer

      public Mopac7Writer(Writer out) throws IOException
      Creates a writer to serialize a molecule as Mopac7 input. Output is written to the given Writer.
      Parameters:
      out - Writer to which the output is written
      Throws:
      IOException

  • Method Details

    • write

      public void write(IChemObject arg0) throws CDKException
      Writes the content of "object" to output.
      Parameters:
      arg0 - the object of which the content is outputted
      Throws:
      CDKException - is thrown if the output does not support the data in the object

    • close

      public void close() throws IOException
      Description copied from interface: IChemObjectIO
      Closes this IChemObjectIO's resources.
      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.

    • getFormat

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

    • setWriter

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

    • setWriter

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