@TestClass(value="org.openscience.cdk.io.SMILESReaderTest") public class SMILESReader extends DefaultChemObjectReader
COC ethoxy ethaneThus first the SMILES, and then after the first space (or tab) on the line a title that is stored as "SMIdbNAME" property in the Molecule.
For each line a molecule is generated, and multiple Molecules are read as MoleculeSet.
IteratingSMILESReader
IChemObjectReader.Mode
Constructor and Description |
---|
SMILESReader() |
SMILESReader(InputStream input) |
SMILESReader(Reader input) |
SMILESReader(Reader input,
IChemObjectBuilder builder)
Construct a new reader from a Reader and a specified builder object.
|
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.
|
IResourceFormat |
getFormat()
Returns the
IResourceFormat class for this IO class. |
<T extends IChemObject> |
read(T object)
reads the content from a XYZ input.
|
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, getIOSettings, handleError, handleError, handleError, handleError, removeChemObjectIOListener, setErrorHandler, setReaderMode
public SMILESReader(Reader input)
public SMILESReader(Reader input, IChemObjectBuilder builder)
input
- The Reader object from which to read structuresbuilder
- the builderpublic SMILESReader(InputStream input)
public SMILESReader()
@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.@TestMethod(value="testReading,testReadingSmiFile_1,testReadingSmiFile_2,testReadingSmiFile_3") public <T extends IChemObject> T read(T object) throws CDKException
object
- class must be of type ChemFileCDKException
- it is thrown if
the type of information is not available from
the inputIChemFile
@TestMethod(value="testClose") public void close() throws IOException
IChemObjectIO
IOException