org.openscience.cdk.io

Class MDLRXNV2000Reader

java.lang.Object

org.openscience.cdk.io.ChemObjectIO

org.openscience.cdk.io.DefaultChemObjectReader

org.openscience.cdk.io.MDLRXNV2000Reader

All Implemented Interfaces:

Closeable, AutoCloseable, IChemObjectIO, IChemObjectReader, ISimpleChemObjectReader

public class MDLRXNV2000Reader
extends DefaultChemObjectReader

Reads a molecule from an MDL RXN file [Dalby, A. and Nourse, J. G. and Hounshell, W. D. and Gushurst, A. K. and Grier, D. L. and Leland, B. A. and Laufer, J., Description of Several Chemical Structure File Formats Used by Computer Programs Developed at Molecular Design Limited, Journal of Chemical Information and Computer Sciences, 1992, 32:244-255]. This MDL RXN reader uses the MDLV2000 reader to read each mol file

Author:

Egon Willighagen, Thomas Kuhn

This class is affected by these bug(s):

1849923

Source code:

master

Belongs to CDK module:

io

Keywords:

file format, MDL RXN

Created on:

2003-07-24

Nested Class Summary

Nested classes/interfaces inherited from interface org.openscience.cdk.io.IChemObjectReader

IChemObjectReader.Mode

Field Summary

Fields inherited from class org.openscience.cdk.io.DefaultChemObjectReader

errorHandler, mode

Constructor Summary

Constructors

Constructor and Description
MDLRXNV2000Reader()
MDLRXNV2000Reader(InputStream input)
MDLRXNV2000Reader(InputStream input, IChemObjectReader.Mode mode)
MDLRXNV2000Reader(Reader in) Constructs a new MDLReader that can read Molecule from a given Reader.
MDLRXNV2000Reader(Reader in, IChemObjectReader.Mode mode)

Method Summary

Modifier and Type	Method and Description
boolean	accepts(Class<? extends IChemObject> classObject)
boolean	accepts(IChemObject object)
void	close()
IResourceFormat	getFormat()
<T extends IChemObject> T	read(T object) Takes an object which subclasses IChemObject, e.g.Molecule, and will read this (from file, database, internet etc).
void	setReader(InputStream input)
void	setReader(Reader input)

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

fireFrameRead, handleError, handleError, handleError, handleError, setErrorHandler, setReaderMode

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

MDLRXNV2000Reader

public MDLRXNV2000Reader(Reader in)

Constructs a new MDLReader that can read Molecule from a given Reader.

Parameters:

in - The Reader to read from

MDLRXNV2000Reader

public MDLRXNV2000Reader(Reader in,
                         IChemObjectReader.Mode mode)

MDLRXNV2000Reader

public MDLRXNV2000Reader(InputStream input)

MDLRXNV2000Reader

public MDLRXNV2000Reader(InputStream input,
                         IChemObjectReader.Mode mode)

MDLRXNV2000Reader

public MDLRXNV2000Reader()

Method Detail

getFormat

public IResourceFormat getFormat()

setReader

public void setReader(Reader input)
               throws CDKException

Throws:

CDKException

setReader

public void setReader(InputStream input)
               throws CDKException

Throws:

CDKException

accepts

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

read

public <T extends IChemObject> T read(T object)
                               throws CDKException

Takes an object which subclasses IChemObject, e.g.Molecule, and will read this (from file, database, internet etc). If the specific implementation does not support a specific IChemObject it will throw an Exception.

Parameters:

object - The object that subclasses IChemObject

Returns:

The IChemObject read

Throws:

CDKException

accepts

public boolean accepts(IChemObject object)

close

public void close()
           throws IOException

Throws:

IOException