Package org.openscience.cdk.io
Class ShelXWriter
- java.lang.Object
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- org.openscience.cdk.io.ChemObjectIO
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- org.openscience.cdk.io.DefaultChemObjectWriter
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- org.openscience.cdk.io.ShelXWriter
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- All Implemented Interfaces:
Closeable
,AutoCloseable
,IChemObjectIO
,IChemObjectWriter
public class ShelXWriter extends DefaultChemObjectWriter
Serializes a MoleculeSet or a Molecule object to ShelX code. The output can be read with Platon.
- Author:
- Egon Willighagen
- Source code:
- main
- Belongs to CDK module:
- extra
- Keywords:
- file format, ShelX
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Constructor Summary
Constructors Constructor Description ShelXWriter()
ShelXWriter(OutputStream output)
ShelXWriter(Writer out)
Constructs a new ShelXWriter class.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description boolean
accepts(Class<? extends IChemObject> classObject)
Returns whether the givenIChemObject
can be read or written.void
close()
Flushes the output and closes this object.IResourceFormat
getFormat()
Returns theIResourceFormat
class for this IO class.void
setWriter(OutputStream output)
Sets the OutputStream from which this ChemObjectWriter should write the contents.void
setWriter(Writer out)
Sets the Writer from which this ChemObjectWriter should write the contents.void
write(IChemObject object)
Serializes the IChemObject to ShelX and redirects it to the output Writer.-
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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Constructor Detail
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ShelXWriter
public ShelXWriter(Writer out)
Constructs a new ShelXWriter class. Output will be stored in the Writer class given as parameter.- Parameters:
out
- Writer to redirect the output to.
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ShelXWriter
public ShelXWriter(OutputStream output)
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ShelXWriter
public ShelXWriter()
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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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setWriter
public void setWriter(Writer out) throws CDKException
Description copied from interface:IChemObjectWriter
Sets the Writer from which this ChemObjectWriter should write the contents.- Throws:
CDKException
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setWriter
public void setWriter(OutputStream output) throws CDKException
Description copied from interface:IChemObjectWriter
Sets the OutputStream from which this ChemObjectWriter should write the contents.- Throws:
CDKException
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close
public void close() throws IOException
Flushes the output and closes this object.- Throws:
IOException
- when the wrapper IO class cannot be closed.
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accepts
public boolean accepts(Class<? extends IChemObject> 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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write
public void write(IChemObject object) throws CDKException
Serializes the IChemObject to ShelX and redirects it to the output Writer.- Parameters:
object
- A Molecule of MoleculeSet object- Throws:
CDKException
- is thrown if the output does not support the data in the object
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