public class Mol2Writer extends DefaultChemObjectWriter
Constructor and Description |
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Mol2Writer() |
Mol2Writer(OutputStream output) |
Mol2Writer(Writer out)
Constructs a new Mol2 writer.
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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.
|
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 of "object" to output.
|
void |
writeMolecule(IAtomContainer mol)
Writes a single frame in XYZ format to the Writer.
|
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 Mol2Writer()
public Mol2Writer(Writer out)
out
- the stream to write the Mol2 file to.public Mol2Writer(OutputStream output)
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 close() throws IOException
IOException
- when the wrapper IO class cannot be closed.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
IChemObjectWriter
object
- the object of which the content is outputtedCDKException
- is thrown if the output
does not support the data in the objectpublic void writeMolecule(IAtomContainer mol) throws IOException
mol
- the Molecule to writeIOException
- if there is an error during writingCopyright © 2021. All rights reserved.