org.openscience.cdk.io

Class XYZWriter

java.lang.Object

org.openscience.cdk.io.ChemObjectIO

org.openscience.cdk.io.DefaultChemObjectWriter

org.openscience.cdk.io.XYZWriter

All Implemented Interfaces:

Closeable, AutoCloseable, IChemObjectIO, IChemObjectWriter

public class XYZWriter
extends DefaultChemObjectWriter

Author:

Bradley A. Smith <bradley@baysmith.com>, J. Daniel Gezelter, Egon Willighagen

Source code:

master

Belongs to CDK module:

io

Constructor Summary

Constructors

Constructor and Description
XYZWriter()
XYZWriter(OutputStream output)
XYZWriter(Writer out) Constructor.

Method Summary

Modifier and Type	Method and Description
boolean	accepts(Class<? extends IChemObject> classObject)
void	close() Flushes the output and closes this object.
IResourceFormat	getFormat()
void	setWriter(OutputStream output)
void	setWriter(Writer out)
void	write(IChemObject object)
void	writeMolecule(IAtomContainer mol) writes a single frame in XYZ format to the 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 Detail

XYZWriter

public XYZWriter(Writer out)

Constructor.

Parameters:

out - the stream to write the XYZ file to.

XYZWriter

public XYZWriter(OutputStream output)

XYZWriter

public XYZWriter()

Method Detail

getFormat

public IResourceFormat getFormat()

setWriter

public void setWriter(Writer out)
               throws CDKException

Throws:

CDKException

setWriter

public void setWriter(OutputStream output)
               throws CDKException

Throws:

CDKException

close

public void close()
           throws IOException

Flushes the output and closes this object.

Throws:

IOException

accepts

public boolean accepts(Class<? extends IChemObject> classObject)

write

public void write(IChemObject object)
           throws CDKException

Throws:

CDKException

writeMolecule

public void writeMolecule(IAtomContainer mol)
                   throws IOException

writes a single frame in XYZ format to the Writer.

Parameters:

mol - the Molecule to write

Throws:

IOException