@TestClass(value="org.openscience.cdk.io.iterator.IteratingSMILESReaderTest") public class IteratingSMILESReader extends DefaultIteratingChemObjectReader<IAtomContainer>
For parsing each SMILES it still uses the normal SMILESReader.
SMILESReader
IChemObjectReader.Mode
Constructor and Description |
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IteratingSMILESReader(InputStream in)
Constructs a new IteratingSMILESReader that can read Molecule from a given InputStream.
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IteratingSMILESReader(InputStream in,
IChemObjectBuilder builder)
Constructs a new IteratingSMILESReader that can read Molecule from a given InputStream and IChemObjectBuilder.
|
IteratingSMILESReader(Reader in,
IChemObjectBuilder builder)
Constructs a new IteratingSMILESReader that can read Molecule from a given Reader.
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Modifier and Type | Method and Description |
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void |
close()
Close the reader.
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IResourceFormat |
getFormat()
Get the format for this reader.
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boolean |
hasNext()
Checks whether there is another molecule to read.
|
IAtomContainer |
next()
Get the next molecule from the stream.
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void |
remove()
File IO generally does not support removing of entries.
|
void |
setReader(InputStream reader)
Sets the InputStream from which this ChemObjectReader should read
the contents.
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void |
setReader(Reader reader)
Sets the Reader from which this ChemObjectReader should read
the contents.
|
accepts, addChemObjectIOListener, getIOSettings, handleError, handleError, handleError, handleError, removeChemObjectIOListener, setErrorHandler, setReaderMode
@TestMethod(value="testSMILESFileWithNames") public IteratingSMILESReader(Reader in, IChemObjectBuilder builder)
in
- The Reader to read frombuilder
- The builder to useDefaultChemObjectBuilder
,
NoNotificationChemObjectBuilder
@TestMethod(value="testSMILESFileWithNames") public IteratingSMILESReader(InputStream in)
in
- The InputStream to read frompublic IteratingSMILESReader(InputStream in, IChemObjectBuilder builder)
in
- The input streambuilder
- The builder@TestMethod(value="testGetFormat") public IResourceFormat getFormat()
SMILESFormat
@TestMethod(value="testSMILESFileWithNames,testSMILESFileWithSpacesAndTabs,testSMILESTitles,testSMILESFile") public boolean hasNext()
@TestMethod(value="testSMILESFileWithNames,testSMILESFileWithSpacesAndTabs,testSMILESTitles,testSMILESFile") public IAtomContainer next()
@TestMethod(value="testSMILESFileWithNames,testSMILESFileWithSpacesAndTabs,testClose") public void close() throws IOException
IOException
- if there is an error during closing@TestMethod(value="testRemove") public void remove()
DefaultIteratingChemObjectReader
remove
in interface Iterator<IAtomContainer>
remove
in class DefaultIteratingChemObjectReader<IAtomContainer>
@TestMethod(value="testSetReader_Reader") public void setReader(Reader reader)
IChemObjectReader
@TestMethod(value="testSetReader1,testSetReader_InputStream") public void setReader(InputStream reader)
IChemObjectReader