Package | Description |
---|---|
org.openscience.cdk.fingerprint | |
org.openscience.cdk.ringsearch | |
org.openscience.cdk.smiles |
Modifier and Type | Method and Description |
---|---|
BitSet |
Fingerprinter.getFingerprint(IAtomContainer container,
AllRingsFinder ringFinder)
Generates a fingerprint of the default size for the given AtomContainer.
|
Modifier and Type | Method and Description |
---|---|
AllRingsFinder |
AllRingsFinder.setTimeout(long timeout)
Sets the timeout value in milliseconds of the AllRingsFinder object
This is used to prevent this AllRingsFinder
to run for ages in certain rare cases with ring systems of
large size or special topology
|
Modifier and Type | Method and Description |
---|---|
AllRingsFinder |
SmilesGenerator.getRingFinder()
Returns the current AllRingsFinder instance
|
Modifier and Type | Method and Description |
---|---|
void |
SmilesGenerator.setRingFinder(AllRingsFinder ringFinder)
Sets the current AllRingsFinder instance
Use this if you want to customize the timeout for
the AllRingsFinder.
|
Constructor and Description |
---|
DeduceBondSystemTool(AllRingsFinder ringFinder)
Constructor for the DeduceBondSystemTool object accepting a custom
AllRingsFinder . |