org.openscience.cdk.io
Class ShelXWriter

java.lang.Object
  org.openscience.cdk.io.ChemObjectIO
      org.openscience.cdk.io.DefaultChemObjectWriter
          org.openscience.cdk.io.ShelXWriter

All Implemented Interfaces:

Closeable, IChemObjectIO, IChemObjectWriter

@TestClass(value="org.openscience.cdk.io.ShelXWriterTest")
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

Keywords:

file format, ShelX

Belongs to CDK module:

extra

Source code:

cdk-1.4.x

Constructor Summary

ShelXWriter()

ShelXWriter(OutputStream output)

ShelXWriter(Writer out)
Constructs a new ShelXWriter class.

Method Summary

boolean	accepts(Class classObject) Returns whether the given IChemObject can be read or written.
void	close() Flushes the output and closes this object
IResourceFormat	getFormat() Returns the IResourceFormat class for this IO class.
void	setWriter(OutputStream output) Sets the OutputStream from which this ChemObjectWriter should write the contents.
void	setWriter(Writer out) Sets the Writer from which this ChemObjectWriter should write the contents.
void	write(IChemObject object) Serializes the IChemObject to ShelX and redirects it to the output Writer.

Methods inherited from class org.openscience.cdk.io.ChemObjectIO

addChemObjectIOListener, addSetting, addSettings, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener

Methods inherited from class java.lang.Object

equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface org.openscience.cdk.io.IChemObjectIO

addChemObjectIOListener, addSetting, addSettings, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener

Constructor Detail

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 Detail

getFormat

@TestMethod(value="testGetFormat")
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

@TestMethod(value="testClose")
public void close()
           throws IOException

Flushes the output and closes this object

Throws:

IOException

accepts

@TestMethod(value="testAccepts")
public boolean accepts(Class 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