Package org.openscience.cdk.io
Class ShelXWriter
java.lang.Object
org.openscience.cdk.io.ChemObjectIO
org.openscience.cdk.io.DefaultChemObjectWriter
org.openscience.cdk.io.ShelXWriter
- All Implemented Interfaces:
Closeable
,AutoCloseable
,IChemObjectIO
,IChemObjectWriter
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
ConstructorsConstructorDescriptionShelXWriter
(OutputStream output) ShelXWriter
(Writer out) Constructs a new ShelXWriter class. -
Method Summary
Modifier and TypeMethodDescriptionboolean
accepts
(Class<? extends IChemObject> classObject) Returns whether the givenIChemObject
can be read or written.void
close()
Flushes the output and closes this object.Returns theIResourceFormat
class for this IO class.void
setWriter
(OutputStream output) Sets the OutputStream from which this ChemObjectWriter should write the contents.void
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
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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Constructor Details
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ShelXWriter
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
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ShelXWriter
public ShelXWriter()
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Method Details
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getFormat
Description copied from interface:IChemObjectIO
Returns theIResourceFormat
class for this IO class. -
setWriter
Description copied from interface:IChemObjectWriter
Sets the Writer from which this ChemObjectWriter should write the contents.- Throws:
CDKException
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setWriter
Description copied from interface:IChemObjectWriter
Sets the OutputStream from which this ChemObjectWriter should write the contents.- Throws:
CDKException
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close
Flushes the output and closes this object.- Throws:
IOException
- when the wrapper IO class cannot be closed.
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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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write
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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