@TestClass(value="org.openscience.cdk.io.SMILESWriterTest") public class SMILESWriter extends DefaultChemObjectWriter
Name | Question | Default |
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UseAromaticity | Should aromaticity information be stored in the SMILES? | false |
Constructor and Description |
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SMILESWriter() |
SMILESWriter(FileOutputStream out)
Constructs a new SMILESWriter that can write an list of SMILES to a given OutputStream
|
SMILESWriter(OutputStream output) |
SMILESWriter(Writer out)
Constructs a new SMILESWriter that can write a list of SMILES to a Writer
|
Modifier and Type | Method and Description |
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boolean |
accepts(Class<? extends IChemObject> classObject)
Returns whether the given
IChemObject can be read or written. |
void |
close()
Flushes the output and closes this object.
|
void |
customizeJob() |
IResourceFormat |
getFormat()
Returns the
IResourceFormat 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)
Writes the content from object to output.
|
void |
writeAtomContainer(IAtomContainer molecule)
Writes the content from molecule to output.
|
void |
writeAtomContainerSet(IAtomContainerSet som)
Writes a list of molecules to an OutputStream.
|
addChemObjectIOListener, addSetting, addSettings, fireIOSettingQuestion, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
addChemObjectIOListener, addSetting, addSettings, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
public SMILESWriter(Writer out)
out
- The Writer to write topublic SMILESWriter(OutputStream output)
public SMILESWriter()
public SMILESWriter(FileOutputStream out)
out
- The OutputStream to write to@TestMethod(value="testGetFormat") public IResourceFormat getFormat()
IChemObjectIO
IResourceFormat
class for this IO class.public void setWriter(Writer out) throws CDKException
IChemObjectWriter
CDKException
public void setWriter(OutputStream output) throws CDKException
IChemObjectWriter
CDKException
@TestMethod(value="testClose") public void close() throws IOException
IOException
@TestMethod(value="testAccepts") public boolean accepts(Class<? extends IChemObject> classObject)
IChemObjectIO
IChemObject
can be read or written.classObject
- IChemObject
of which is tested if it can be handled.IChemObject
can be handled.public void write(IChemObject object) throws CDKException
object
- IChemObject of which the data is outputted.CDKException
- is thrown if the output
does not support the data in the objectpublic void writeAtomContainerSet(IAtomContainerSet som)
som
- MoleculeSet that is written to an OutputStreampublic void writeAtomContainer(IAtomContainer molecule)
molecule
- Molecule of which the data is outputted.public void customizeJob()
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