Package org.openscience.cdk.io
Class VASPReader
- java.lang.Object
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- org.openscience.cdk.io.ChemObjectIO
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- org.openscience.cdk.io.DefaultChemObjectReader
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- org.openscience.cdk.io.VASPReader
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- 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:
- main
- Belongs to CDK module:
- extra
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Nested Class Summary
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Nested classes/interfaces inherited from interface org.openscience.cdk.io.IChemObjectReader
IChemObjectReader.Mode
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Field Summary
Fields Modifier and Type Field Description protected String
fieldVal
protected BufferedReader
inputBuffer
protected int
repVal
protected StringTokenizer
st
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Fields inherited from class org.openscience.cdk.io.DefaultChemObjectReader
errorHandler, mode
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Constructor Summary
Constructors Constructor Description VASPReader()
VASPReader(InputStream input)
VASPReader(Reader input)
Creates a newVASPReader
instance.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description boolean
accepts(Class classObject)
Returns whether the givenIChemObject
can be read or written.void
close()
Closes this IChemObjectIO's resources.IResourceFormat
getFormat()
Returns theIResourceFormat
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>
Tread(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
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Methods inherited from class org.openscience.cdk.io.ChemObjectIO
addChemObjectIOListener, addSetting, addSettings, fireIOSettingQuestion, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
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Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
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Methods inherited from interface org.openscience.cdk.io.IChemObjectIO
addChemObjectIOListener, addSetting, addSettings, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
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Field Detail
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st
protected StringTokenizer st
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fieldVal
protected String fieldVal
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repVal
protected int repVal
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inputBuffer
protected BufferedReader inputBuffer
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Constructor Detail
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VASPReader
public VASPReader(Reader input)
Creates a newVASPReader
instance.- Parameters:
input
- aReader
value
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VASPReader
public VASPReader(InputStream input)
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VASPReader
public VASPReader()
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Method Detail
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getFormat
public IResourceFormat getFormat()
Description copied from interface:IChemObjectIO
Returns theIResourceFormat
class for this IO class.
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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
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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
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accepts
public boolean accepts(Class classObject)
Description copied from interface:IChemObjectIO
Returns whether the givenIChemObject
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.
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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
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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
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nextVASPTokenFollowing
public String nextVASPTokenFollowing(String string) throws IOException
Find the next token of a VASP file beginning with the *next* line.- Throws:
IOException
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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.
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