org.openscience.cdk.io

Class ShelXReader

java.lang.Object

org.openscience.cdk.io.ChemObjectIO

org.openscience.cdk.io.DefaultChemObjectReader

org.openscience.cdk.io.ShelXReader

All Implemented Interfaces:

Closeable, AutoCloseable, IChemObjectIO, IChemObjectReader, ISimpleChemObjectReader

public class ShelXReader
extends DefaultChemObjectReader

A reader for ShelX output (RES) files. It does not read all information. The list of fields that is read: REM, END, CELL, SPGR. In additions atoms are read.

A reader for ShelX files. It currently supports ShelXL.

The ShelXL format is described on the net: http://www.msg.ucsf.edu/local/programs/shelxl/ch_07.html.

Author:

E.L. Willighagen

Source code:

master

Belongs to CDK module:

io

Keywords:

file format, ShelXL

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
ShelXReader()
ShelXReader(InputStream input)
ShelXReader(Reader input) Create an ShelX file reader.

Method Summary

Modifier and Type	Method and Description
boolean	accepts(Class<? extends IChemObject> classObject)
void	close()
IResourceFormat	getFormat()
<T extends IChemObject> T	read(T object) Read a ChemFile from input.
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

ShelXReader

public ShelXReader(Reader input)

Create an ShelX file reader.

Parameters:

input - source of ShelX data

ShelXReader

public ShelXReader(InputStream input)

ShelXReader

public ShelXReader()

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

Read a ChemFile from input.

Returns:

the content in a ChemFile object

Throws:

CDKException

close

public void close()
           throws IOException

Throws:

IOException