Package | Description |
---|---|
org.openscience.cdk.fingerprint | |
org.openscience.cdk.ringsearch | |
org.openscience.cdk.smiles |
Modifier and Type | Method and Description |
---|---|
IBitFingerprint |
Fingerprinter.getBitFingerprint(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)
Deprecated.
use the new threshold (during construction)
|
static AllRingsFinder |
AllRingsFinder.usingThreshold(AllRingsFinder.Threshold threshold)
Create an
AllRingsFinder instance using the given threshold. |
Constructor and Description |
---|
DeduceBondSystemTool(AllRingsFinder ringFinder)
Deprecated.
Constructor for the DeduceBondSystemTool object accepting a custom
AllRingsFinder . |
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