Package 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
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
Nested classes/interfaces inherited from interface org.openscience.cdk.io.IChemObjectReader
IChemObjectReader.Mode
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Field Summary
FieldsModifier and TypeFieldDescriptionprotected String
protected BufferedReader
protected int
protected StringTokenizer
Fields inherited from class org.openscience.cdk.io.DefaultChemObjectReader
errorHandler, mode
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Constructor Summary
ConstructorsConstructorDescriptionVASPReader
(InputStream input) VASPReader
(Reader input) Creates a newVASPReader
instance. -
Method Summary
Modifier and TypeMethodDescriptionboolean
Returns whether the givenIChemObject
can be read or written.void
close()
Closes this IChemObjectIO's resources.Returns theIResourceFormat
class for this IO class.nextVASPToken
(boolean newLine) Find the next token of an VASP file.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
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
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Field Details
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st
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fieldVal
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repVal
protected int repVal -
inputBuffer
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Constructor Details
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VASPReader
Creates a newVASPReader
instance.- Parameters:
input
- aReader
value
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VASPReader
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VASPReader
public VASPReader()
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Method Details
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getFormat
Description copied from interface:IChemObjectIO
Returns theIResourceFormat
class for this IO class. -
setReader
Description copied from interface:IChemObjectReader
Sets the Reader from which this ChemObjectReader should read the contents.- Throws:
CDKException
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setReader
Description copied from interface:IChemObjectReader
Sets the InputStream from which this ChemObjectReader should read the contents.- Throws:
CDKException
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accepts
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
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
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
Find the next token of a VASP file beginning with the *next* line.- Throws:
IOException
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close
Description copied from interface:IChemObjectIO
Closes this IChemObjectIO's resources.- Throws:
IOException
- when the wrapper IO class cannot be closed.
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