org.openscience.cdk.io

Class SMILESWriter

java.lang.Object

org.openscience.cdk.io.ChemObjectIO

org.openscience.cdk.io.DefaultChemObjectWriter

org.openscience.cdk.io.SMILESWriter

All Implemented Interfaces:

Closeable, AutoCloseable, IChemObjectIO, IChemObjectWriter

public class SMILESWriter
extends DefaultChemObjectWriter

Writes the SMILES strings to a plain text file.

Source code:

master

IO options:

Name	Question	Default
UseAromaticity	Should aromaticity information be stored in the SMILES?	false

Belongs to CDK module:

smiles

Keywords:

file format, SMILES

Constructor Summary

Constructors

Constructor and Description
SMILESWriter()
SMILESWriter(FileOutputStream out) Constructs a new SMILESWriter that can write an list of SMILES to a given OutputStream
SMILESWriter(OutputStream output)
SMILESWriter(Writer out) Constructs a new SMILESWriter that can write a list of SMILES to a Writer

Method Summary

Modifier and Type	Method and Description
boolean	accepts(Class<? extends IChemObject> classObject)
void	close() Flushes the output and closes this object.
void	customizeJob()
IResourceFormat	getFormat()
void	setWriter(OutputStream output)
void	setWriter(Writer out)
void	write(IChemObject object) Writes the content from object to output.
void	writeAtomContainer(IAtomContainer molecule) Writes the content from molecule to output.
void	writeAtomContainerSet(IAtomContainerSet som) Writes a list of molecules to an OutputStream.

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

SMILESWriter

public SMILESWriter(Writer out)

Constructs a new SMILESWriter that can write a list of SMILES to a Writer

Parameters:

out - The Writer to write to

SMILESWriter

public SMILESWriter(OutputStream output)

SMILESWriter

public SMILESWriter()

SMILESWriter

public SMILESWriter(FileOutputStream out)

Constructs a new SMILESWriter that can write an list of SMILES to a given OutputStream

Parameters:

out - The OutputStream to write to

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

Writes the content from object to output.

Parameters:

object - IChemObject of which the data is given as output.

Throws:

CDKException

writeAtomContainerSet

public void writeAtomContainerSet(IAtomContainerSet som)

Writes a list of molecules to an OutputStream.

Parameters:

som - MoleculeSet that is written to an OutputStream

writeAtomContainer

public void writeAtomContainer(IAtomContainer molecule)

Writes the content from molecule to output.

Parameters:

molecule - Molecule of which the data is given as output.

customizeJob

public void customizeJob()