Package 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, 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

Keywords:

file format, ShelX

Constructor Summary

Constructors

Constructor	Description
ShelXWriter()
ShelXWriter(OutputStream output)
ShelXWriter(Writer out)	Constructs a new ShelXWriter class.

Method Summary

Modifier and Type	Method	Description
boolean	accepts(Class<? extends IChemObject> 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, fireIOSettingQuestion, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener

Methods inherited from class java.lang.Object

clone, equals, finalize, 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 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)

Description copied from interface: IChemObjectWriter

Sets the Writer from which this ChemObjectWriter should write the contents.

setWriter

public void setWriter(OutputStream output)

Description copied from interface: IChemObjectWriter

Sets the OutputStream from which this ChemObjectWriter should write the contents.

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