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 IBitFingerprintFingerprinterTool.makeBitFingerprint(Map<String, Integer> features) Convert a mapping of features and their counts to a 1024-bit binary fingerprint.static IBitFingerprintFingerprinterTool.makeBitFingerprint(Map<String, Integer> features, int len) Convert a mapping of features and their counts to a binary fingerprint.static IBitFingerprintFingerprinterTool.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 TypeMethodDescriptionvoidBitSetFingerprint.and(IBitFingerprint fingerprint) voidIBitFingerprint.and(IBitFingerprint fingerprint) Performs a logical AND of the bits in this target bit set with the bits in the argument fingerprint.voidIntArrayFingerprint.and(IBitFingerprint fingerprint) voidBitSetFingerprint.or(IBitFingerprint fingerprint) voidIBitFingerprint.or(IBitFingerprint fingerprint) Performs a logical OR of the bits in this target bit set with the bits in the argument fingerprint.voidIntArrayFingerprint.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 doubleTanimoto.calculate(IBitFingerprint fingerprint1, IBitFingerprint fingerprint2) Evaluates Tanimoto coefficient for twoIBitFingerprint.