Uses of Interface
org.openscience.cdk.fingerprint.IBitFingerprint
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Packages that use IBitFingerprint Package Description org.openscience.cdk.fingerprint org.openscience.cdk.modeling.builder3d org.openscience.cdk.similarity -
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Uses of IBitFingerprint in org.openscience.cdk.fingerprint
Classes in org.openscience.cdk.fingerprint that implement IBitFingerprint Modifier and Type Class Description class
BitSetFingerprint
class
IntArrayFingerprint
Methods in org.openscience.cdk.fingerprint that return IBitFingerprint Modifier and Type Method Description IBitFingerprint
AtomPairs2DFingerprinter. getBitFingerprint(IAtomContainer container)
IBitFingerprint
CircularFingerprinter. getBitFingerprint(IAtomContainer mol)
Calculates the circular fingerprint for the givenIAtomContainer
, and folds the result into a single bitset (see getSize()).IBitFingerprint
EStateFingerprinter. getBitFingerprint(IAtomContainer atomContainer)
Returns the bit fingerprint for the givenIAtomContainer
.IBitFingerprint
ExtendedFingerprinter. getBitFingerprint(IAtomContainer container)
Generates a fingerprint of the default size for the given AtomContainer, using path and ring metrics.IBitFingerprint
ExtendedFingerprinter. getBitFingerprint(IAtomContainer atomContainer, IRingSet ringSet, List<IRingSet> rslist)
Generates a fingerprint of the default size for the given AtomContainer, using path and ring metrics.IBitFingerprint
Fingerprinter. getBitFingerprint(IAtomContainer container)
Generates a fingerprint of the default size for the given AtomContainer.IBitFingerprint
Fingerprinter. getBitFingerprint(IAtomContainer container, AllRingsFinder ringFinder)
Generates a fingerprint of the default size for the given AtomContainer.IBitFingerprint
IFingerprinter. getBitFingerprint(IAtomContainer container)
Returns the bit fingerprint for the givenIAtomContainer
.IBitFingerprint
LingoFingerprinter. getBitFingerprint(IAtomContainer iAtomContainer)
IBitFingerprint
MACCSFingerprinter. getBitFingerprint(IAtomContainer container)
Returns the bit fingerprint for the givenIAtomContainer
.IBitFingerprint
PubchemFingerprinter. getBitFingerprint(IAtomContainer atomContainer)
Calculate 881 bit Pubchem fingerprint for a molecule.IBitFingerprint
ShortestPathFingerprinter. getBitFingerprint(IAtomContainer ac)
Generates a shortest path based BitSet fingerprint for the given AtomContainer.IBitFingerprint
SignatureFingerprinter. getBitFingerprint(IAtomContainer atomContainer)
IBitFingerprint
SubstructureFingerprinter. getBitFingerprint(IAtomContainer atomContainer)
Returns the bit fingerprint for the givenIAtomContainer
.static IBitFingerprint
FingerprinterTool. makeBitFingerprint(Map<String,Integer> features)
Convert a mapping of features and their counts to a 1024-bit binary fingerprint.static IBitFingerprint
FingerprinterTool. makeBitFingerprint(Map<String,Integer> features, int len)
Convert a mapping of features and their counts to a binary fingerprint.static IBitFingerprint
FingerprinterTool. makeBitFingerprint(Map<String,Integer> features, int len, int bits)
Convert a mapping of features and their counts to a binary fingerprint.Methods in org.openscience.cdk.fingerprint with parameters of type IBitFingerprint Modifier and Type Method Description void
BitSetFingerprint. and(IBitFingerprint fingerprint)
void
IBitFingerprint. and(IBitFingerprint fingerprint)
Performs a logical AND of the bits in this target bit set with the bits in the argument fingerprint.void
IntArrayFingerprint. and(IBitFingerprint fingerprint)
void
BitSetFingerprint. or(IBitFingerprint fingerprint)
void
IBitFingerprint. or(IBitFingerprint fingerprint)
Performs a logical OR of the bits in this target bit set with the bits in the argument fingerprint.void
IntArrayFingerprint. or(IBitFingerprint fingerprint)
Constructors in org.openscience.cdk.fingerprint with parameters of type IBitFingerprint Constructor Description BitSetFingerprint(IBitFingerprint fingerprint)
IntArrayFingerprint(IBitFingerprint fingerprint)
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Uses of IBitFingerprint in org.openscience.cdk.modeling.builder3d
Methods in org.openscience.cdk.modeling.builder3d that return types with arguments of type IBitFingerprint Modifier and Type Method Description List<IBitFingerprint>
TemplateExtractor. makeFingerprintsFromSdf(boolean anyAtom, boolean anyAtomAnyBond, Map<String,Integer> timings, BufferedReader fin, int limit)
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Uses of IBitFingerprint in org.openscience.cdk.similarity
Methods in org.openscience.cdk.similarity with parameters of type IBitFingerprint Modifier and Type Method Description static double
Tanimoto. calculate(IBitFingerprint fingerprint1, IBitFingerprint fingerprint2)
Evaluates Tanimoto coefficient for twoIBitFingerprint
.
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