Uses of Interface
org.openscience.cdk.fingerprint.ICountFingerprint
Packages that use ICountFingerprint
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Uses of ICountFingerprint in org.openscience.cdk.fingerprint
Classes in org.openscience.cdk.fingerprint that implement ICountFingerprintMethods in org.openscience.cdk.fingerprint that return ICountFingerprintModifier and TypeMethodDescriptionAtomPairs2DFingerprinter.getCountFingerprint
(IAtomContainer mol) CircularFingerprinter.getCountFingerprint
(IAtomContainer mol) Calculates the circular fingerprint for the givenIAtomContainer
, and returns a datastructure that enumerates all of the fingerprints, and their counts (i.e.EStateFingerprinter.getCountFingerprint
(IAtomContainer container) Returns the count fingerprint for the givenIAtomContainer
.ExtendedFingerprinter.getCountFingerprint
(IAtomContainer container) Returns the count fingerprint for the givenIAtomContainer
.Fingerprinter.getCountFingerprint
(IAtomContainer container) IFingerprinter.getCountFingerprint
(IAtomContainer container) Returns the count fingerprint for the givenIAtomContainer
.LingoFingerprinter.getCountFingerprint
(IAtomContainer container) MACCSFingerprinter.getCountFingerprint
(IAtomContainer container) Returns the count fingerprint for the givenIAtomContainer
.PubchemFingerprinter.getCountFingerprint
(IAtomContainer container) Returns the count fingerprint for the givenIAtomContainer
.ShortestPathFingerprinter.getCountFingerprint
(IAtomContainer iac) SignatureFingerprinter.getCountFingerprint
(IAtomContainer container) SubstructureFingerprinter.getCountFingerprint
(IAtomContainer atomContainer) Returns the count fingerprint for the givenIAtomContainer
.static ICountFingerprint
FingerprinterTool.makeCountFingerprint
(Map<String, Integer> features) Wrap a mapping of features and their counts to a continuous (count based) fingerprint.Methods in org.openscience.cdk.fingerprint with parameters of type ICountFingerprintModifier and TypeMethodDescriptionvoid
ICountFingerprint.merge
(ICountFingerprint fp) Merge all fromfp
into the current fingerprint.void
IntArrayCountFingerprint.merge
(ICountFingerprint fp) -
Uses of ICountFingerprint in org.openscience.cdk.similarity
Methods in org.openscience.cdk.similarity with parameters of type ICountFingerprintModifier and TypeMethodDescriptionstatic double
Tanimoto.calculate
(ICountFingerprint fp1, ICountFingerprint fp2) Evaluate continuous Tanimoto coefficient for two feature, count fingerprint representations.static double
Tanimoto.method1
(ICountFingerprint fp1, ICountFingerprint fp2) Calculates Tanimoto distance for two count fingerprints using method 1.static double
Tanimoto.method2
(ICountFingerprint fp1, ICountFingerprint fp2) Calculates Tanimoto distance for two count fingerprints using method 2 [J.A. Grant, J.A. Haigh, B.T. Pickup, A. Nicholls and R.A. Sayle. J. Chem. Inf. Model.. 2006. 46].