@TestClass(value="org.openscience.cdk.io.MDLV3000ReaderTest") public class MDLV3000Reader extends DefaultChemObjectReader
IChemObjectReader.Mode
Constructor and Description |
---|
MDLV3000Reader() |
MDLV3000Reader(InputStream input) |
MDLV3000Reader(InputStream input,
IChemObjectReader.Mode mode) |
MDLV3000Reader(Reader in) |
MDLV3000Reader(Reader in,
IChemObjectReader.Mode mode) |
Modifier and Type | Method and Description |
---|---|
boolean |
accepts(Class classObject)
Returns whether the given
IChemObject can be read or written. |
void |
close()
Closes this IChemObjectIO's resources.
|
String |
exhaustStringTokenizer(StringTokenizer tokenizer) |
IResourceFormat |
getFormat()
Returns the
IResourceFormat class for this IO class. |
IOSetting[] |
getIOSettings()
Returns an array of
IOSetting s defined by this IChemObjectIO class. |
boolean |
isReady() |
<T extends IChemObject> |
read(T object)
Reads an IChemObject of type "object" from input.
|
void |
readAtomBlock(IAtomContainer readData)
Reads the atoms, coordinates and charges.
|
void |
readBondBlock(IAtomContainer readData)
Reads the bond atoms, order and stereo configuration.
|
IAtomContainer |
readConnectionTable(IChemObjectBuilder builder) |
String |
readHeader(IAtomContainer readData) |
String |
readLine() |
IMolecule |
readMolecule(IChemObjectBuilder builder) |
void |
readSGroup(IAtomContainer readData)
Reads labels.
|
void |
setReader(InputStream input)
Sets the InputStream from which this ChemObjectReader should read
the contents.
|
void |
setReader(Reader input)
Sets the Reader from which this ChemObjectReader should read
the contents.
|
addChemObjectIOListener, handleError, handleError, handleError, handleError, removeChemObjectIOListener, setErrorHandler, setReaderMode
public MDLV3000Reader(Reader in)
public MDLV3000Reader(Reader in, IChemObjectReader.Mode mode)
public MDLV3000Reader(InputStream input)
public MDLV3000Reader(InputStream input, IChemObjectReader.Mode mode)
public MDLV3000Reader()
@TestMethod(value="testGetFormat") public IResourceFormat getFormat()
IChemObjectIO
IResourceFormat
class for this IO class.@TestMethod(value="testSetReader_Reader") public void setReader(Reader input) throws CDKException
IChemObjectReader
CDKException
@TestMethod(value="testSetReader_InputStream") public void setReader(InputStream input) throws CDKException
IChemObjectReader
CDKException
@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 <T extends IChemObject> T read(T object) throws CDKException
ISimpleChemObjectReader
object
- the type of object to returnCDKException
- it is thrown if
the type of information is not available from
the inputpublic IMolecule readMolecule(IChemObjectBuilder builder) throws CDKException
CDKException
public IAtomContainer readConnectionTable(IChemObjectBuilder builder) throws CDKException
CDKException
public String readHeader(IAtomContainer readData) throws CDKException
CDKException
- when no file content is detectedpublic void readAtomBlock(IAtomContainer readData) throws CDKException
IMPORTANT: it does not support the atom list and its negation!
CDKException
public void readBondBlock(IAtomContainer readData) throws CDKException
CDKException
public void readSGroup(IAtomContainer readData) throws CDKException
CDKException
public String exhaustStringTokenizer(StringTokenizer tokenizer)
public String readLine() throws CDKException
CDKException
public boolean isReady() throws CDKException
CDKException
@TestMethod(value="testClose") public void close() throws IOException
IChemObjectIO
IOException
public IOSetting[] getIOSettings()
IChemObjectIO
IOSetting
s defined by this IChemObjectIO class.getIOSettings
in interface IChemObjectIO
getIOSettings
in class DefaultChemObjectReader
IOSetting
s for this class.