@TestClass(value="org.openscience.cdk.io.MDLRXNReaderTest") public class MDLRXNWriter extends DefaultChemObjectWriter
MDLRXNWriter writer = new MDLRXNWriter(new FileWriter(new File("output.mol"))); writer.write((Molecule)molecule); writer.close();See .
Constructor and Description |
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MDLRXNWriter() |
MDLRXNWriter(OutputStream output)
Constructs a new MDLWriter that can write an array of
Molecules to a given OutputStream.
|
MDLRXNWriter(Writer out)
Constructs a new MDLWriter that can write an array of
Molecules to a Writer.
|
Modifier and Type | Method and Description |
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boolean |
accepts(Class classObject)
Returns whether the given
IChemObject can be read or written. |
void |
close()
Flushes the output and closes this object.
|
IResourceFormat |
getFormat()
Returns the
IResourceFormat class for this IO class. |
void |
setRdFields(Map map)
Here you can set a map which will be used to build rd fields in the file.
|
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 a IChemObject to the MDL RXN file formated output.
|
addChemObjectIOListener, getIOSettings, removeChemObjectIOListener
public Map rdFields
public MDLRXNWriter(Writer out)
out
- The Writer to write topublic MDLRXNWriter(OutputStream output)
output
- The OutputStream to write topublic MDLRXNWriter()
@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
public void setRdFields(Map map)
map
- The map to be used, map of String-String pairs@TestMethod(value="testClose") public void close() throws IOException
IOException
@TestMethod(value="testAccepts") public boolean accepts(Class 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
- class must be of type Molecule or MoleculeSet.CDKException
- is thrown if the output
does not support the data in the objectChemFile