org.openscience.cdk.io

Class VASPReader

java.lang.Object

org.openscience.cdk.io.ChemObjectIO

org.openscience.cdk.io.DefaultChemObjectReader

org.openscience.cdk.io.VASPReader

All Implemented Interfaces:

Closeable, AutoCloseable, IChemObjectIO, IChemObjectReader, ISimpleChemObjectReader

public class VASPReader
extends DefaultChemObjectReader

Read output files generated with the VASP software.

Author:

Fabian Dortu <Fabian.Dortu@wanadoo.be>

Source code:

master

Belongs to CDK module:

extra

Nested Class Summary

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

IChemObjectReader.Mode

Field Summary

Fields

Modifier and Type	Field and Description
protected String	fieldVal
protected BufferedReader	inputBuffer
protected int	repVal
protected StringTokenizer	st

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

errorHandler, mode

Constructor Summary

Constructors

Constructor and Description
VASPReader()
VASPReader(InputStream input)
VASPReader(Reader input) Creates a new VASPReader instance.

Method Summary

Modifier and Type	Method and Description
boolean	accepts(Class classObject) Returns whether the given IChemObject can be read or written.
void	close() Closes this IChemObjectIO's resources.
IResourceFormat	getFormat() Returns the IResourceFormat class for this IO class.
String	nextVASPToken(boolean newLine) Find the next token of an VASP file.
String	nextVASPTokenFollowing(String string) Find the next token of a VASP file beginning with the *next* line.
<T extends IChemObject> T	read(T object) Reads an IChemObject of type "object" from input.
void	setReader(InputStream input) Sets the InputStream from which this ChemObjectReader should read the contents.
void	setReader(Reader input) Sets the Reader from which this ChemObjectReader should read the contents.

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

Field Detail

st

protected StringTokenizer st

fieldVal

protected String fieldVal

repVal

protected int repVal

inputBuffer

protected BufferedReader inputBuffer

Constructor Detail

VASPReader

public VASPReader(Reader input)

Creates a new VASPReader instance.

Parameters:

input - a Reader value

VASPReader

public VASPReader(InputStream input)

VASPReader

public VASPReader()

Method Detail

getFormat

public IResourceFormat getFormat()

Description copied from interface: IChemObjectIO

Returns the IResourceFormat class for this IO class.

setReader

public void setReader(Reader input)
               throws CDKException

Description copied from interface: IChemObjectReader

Sets the Reader from which this ChemObjectReader should read the contents.

Throws:

CDKException

setReader

public void setReader(InputStream input)
               throws CDKException

Description copied from interface: IChemObjectReader

Sets the InputStream from which this ChemObjectReader should read the contents.

Throws:

CDKException

accepts

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.

read

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

Description copied from interface: ISimpleChemObjectReader

Reads an IChemObject of type "object" from input. The constructor of the actual implementation may take a Reader as input to get a very flexible reader that can read from string, files, etc.

Parameters:

object - the type of object to return

Returns:

returns an object of that contains the content (or part) of the input content

Throws:

CDKException - it is thrown if the type of information is not available from the input

nextVASPToken

public String nextVASPToken(boolean newLine)
                     throws IOException

Find the next token of an VASP file. ABINIT tokens are words separated by space(s). Characters following a "#" are ignored till the end of the line.

Returns:

a String value

Throws:

IOException - if an error occurs

nextVASPTokenFollowing

public String nextVASPTokenFollowing(String string)
                              throws IOException

Find the next token of a VASP file beginning with the *next* line.

Throws:

IOException

close

public void close()
           throws IOException

Description copied from interface: IChemObjectIO

Closes this IChemObjectIO's resources.

Throws:

IOException - when the wrapper IO class cannot be closed.