@TestClass(value="org.openscience.cdk.fingerprint.GraphOnlyFingerprinterTest") public class GraphOnlyFingerprinter extends Fingerprinter
Fingerprinter
which does not take bond orders
into account.Fingerprinter
DEFAULT_SEARCH_DEPTH, DEFAULT_SIZE
Constructor and Description |
---|
GraphOnlyFingerprinter()
Creates a fingerprint generator of length
defaultSize
and with a search depth of defaultSearchDepth . |
GraphOnlyFingerprinter(int size) |
GraphOnlyFingerprinter(int size,
int searchDepth) |
Modifier and Type | Method and Description |
---|---|
BitSet |
getFingerprint(IAtomContainer container,
int size) |
getFingerprint, getFingerprint, getSearchDepth, getSize
public GraphOnlyFingerprinter()
defaultSize
and with a search depth of defaultSearchDepth
.public GraphOnlyFingerprinter(int size)
public GraphOnlyFingerprinter(int size, int searchDepth)
@TestMethod(value="testFingerPrint,testFingerprint") public BitSet getFingerprint(IAtomContainer container, int size) throws Exception
Exception