Uses of Interface
org.openscience.cdk.fingerprint.IBitFingerprint
Packages that use IBitFingerprint
Package
Description
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Uses of IBitFingerprint in org.openscience.cdk.fingerprint
Classes in org.openscience.cdk.fingerprint that implement IBitFingerprintMethods in org.openscience.cdk.fingerprint that return IBitFingerprintModifier and TypeMethodDescriptionAtomPairs2DFingerprinter.getBitFingerprint
(IAtomContainer container) CircularFingerprinter.getBitFingerprint
(IAtomContainer mol) Calculates the circular fingerprint for the givenIAtomContainer
, and folds the result into a single bitset (see getSize()).EStateFingerprinter.getBitFingerprint
(IAtomContainer atomContainer) Returns the bit fingerprint for the givenIAtomContainer
.ExtendedFingerprinter.getBitFingerprint
(IAtomContainer container) Generates a fingerprint of the default size for the given AtomContainer, using path and ring metrics.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.Fingerprinter.getBitFingerprint
(IAtomContainer container) Generates a fingerprint of the default size for the given AtomContainer.Fingerprinter.getBitFingerprint
(IAtomContainer container, AllRingsFinder ringFinder) Generates a fingerprint of the default size for the given AtomContainer.IFingerprinter.getBitFingerprint
(IAtomContainer container) Returns the bit fingerprint for the givenIAtomContainer
.LingoFingerprinter.getBitFingerprint
(IAtomContainer iAtomContainer) MACCSFingerprinter.getBitFingerprint
(IAtomContainer container) Returns the bit fingerprint for the givenIAtomContainer
.PubchemFingerprinter.getBitFingerprint
(IAtomContainer atomContainer) Calculate 881 bit Pubchem fingerprint for a molecule.ShortestPathFingerprinter.getBitFingerprint
(IAtomContainer ac) Generates a shortest path based BitSet fingerprint for the given AtomContainer.SignatureFingerprinter.getBitFingerprint
(IAtomContainer atomContainer) 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 IBitFingerprintModifier and TypeMethodDescriptionvoid
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 IBitFingerprintModifierConstructorDescriptionBitSetFingerprint
(IBitFingerprint fingerprint) IntArrayFingerprint
(IBitFingerprint fingerprint) -
Uses of IBitFingerprint in org.openscience.cdk.modeling.builder3d
Methods in org.openscience.cdk.modeling.builder3d that return types with arguments of type IBitFingerprintModifier and TypeMethodDescriptionTemplateExtractor.makeFingerprintsFromSdf
(boolean anyAtom, boolean anyAtomAnyBond, Map<String, Integer> timings, BufferedReader fin, int limit) -
Uses of IBitFingerprint in org.openscience.cdk.similarity
Methods in org.openscience.cdk.similarity with parameters of type IBitFingerprintModifier and TypeMethodDescriptionstatic double
Tanimoto.calculate
(IBitFingerprint fingerprint1, IBitFingerprint fingerprint2) Evaluates Tanimoto coefficient for twoIBitFingerprint
.