org.openscience.cdk.io

Class XYZWriter

java.lang.Object

org.openscience.cdk.io.DefaultChemObjectWriter

org.openscience.cdk.io.XYZWriter

All Implemented Interfaces:

IChemObjectIO, IChemObjectWriter

@TestClass(value="org.openscience.cdk.io.XYZWriterTest")
public class XYZWriter
extends DefaultChemObjectWriter

Author:

Bradley A. Smith , J. Daniel Gezelter, Egon Willighagen

Constructor Summary

Constructors

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

Method Summary

Methods

Modifier and Type	Method and Description
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) Writes the content of "object" to output
void	writeMolecule(IMolecule mol) writes a single frame in XYZ format to the Writer.

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

addChemObjectIOListener, getIOSettings, removeChemObjectIOListener

Methods inherited from class java.lang.Object

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

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

@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

Description copied from interface: IChemObjectWriter

Writes the content of "object" to output

Parameters:

object - the object of which the content is outputed

Throws:

CDKException - is thrown if the output does not support the data in the object

writeMolecule

public void writeMolecule(IMolecule mol)
                   throws IOException

writes a single frame in XYZ format to the Writer.

Parameters:

mol - the Molecule to write

Throws:

IOException