@TestClass(value="org.openscience.cdk.io.PDBWriterTest") public class PDBWriter extends DefaultChemObjectWriter
Modifier and Type | Field and Description |
---|---|
String |
ATOM_NAME_FORMAT |
String |
POSITION_FORMAT |
String |
RESIDUE_FORMAT |
String |
SERIAL_FORMAT |
Constructor and Description |
---|
PDBWriter() |
PDBWriter(OutputStream output) |
PDBWriter(Writer out)
Creates a PDB writer.
|
Modifier and Type | Method and Description |
---|---|
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 |
writeCrystal(ICrystal crystal) |
void |
writeMolecule(IAtomContainer molecule)
Writes a single frame in PDB 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 final String SERIAL_FORMAT
public final String ATOM_NAME_FORMAT
public final String POSITION_FORMAT
public final String RESIDUE_FORMAT
public PDBWriter()
public PDBWriter(Writer out)
out
- the stream to write the PDB file to.public PDBWriter(OutputStream output)
@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="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
IChemObjectWriter
object
- the object of which the content is outputedCDKException
- is thrown if the output
does not support the data in the objectpublic void writeMolecule(IAtomContainer molecule) throws CDKException
molecule
- the Molecule to writeCDKException
public void writeCrystal(ICrystal crystal) throws CDKException
CDKException
@TestMethod(value="testClose") public void close() throws IOException
IOException
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