Package chemaxon.descriptors
Class SimilarityCalculator<T>
- java.lang.Object
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- chemaxon.descriptors.SimilarityCalculator<T>
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@PublicAPI public abstract class SimilarityCalculator<T> extends Object
Descriptor similarity calculation can be performed using SimilarityCalculator. This class represents a metrics and subclasses must contain all parameters that may required. The SimilarityCalculatorFactory can be used to create an object of this type.- Since:
- JChem 5.2.2.
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Constructor Summary
Constructors Constructor Description SimilarityCalculator()
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Method Summary
All Methods Instance Methods Abstract Methods Concrete Methods Modifier and Type Method Description abstract float
getDissimilarity(T fp)
Gets the dissimilarity value according to previously defined metric and its parameters.abstract float
getSimilarity(T fp)
Gets the similarity value according to previously defined metric and its parameters.void
setQueryFingerprint(T fp)
Sets the query fingerprint
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Method Detail
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setQueryFingerprint
public void setQueryFingerprint(T fp) throws chemaxon.descriptors.SimilarityException
Sets the query fingerprint- Parameters:
fp
-- Throws:
chemaxon.descriptors.SimilarityException
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getSimilarity
public abstract float getSimilarity(T fp) throws chemaxon.descriptors.SimilarityException
Gets the similarity value according to previously defined metric and its parameters. Query fingerprint must be previously setted once usingsetQueryFingerprint
- Parameters:
fp
- fingerprint type is defined by the subclass using generics.- Returns:
- similariy score
- Throws:
chemaxon.screen.SimilarityException
- If query has not been setted before or target and query fingerprint has different array length.chemaxon.descriptors.SimilarityException
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getDissimilarity
public abstract float getDissimilarity(T fp) throws chemaxon.descriptors.SimilarityException
Gets the dissimilarity value according to previously defined metric and its parameters. Query fingerprint must be previously setted once usingsetQueryFingerprint
- Parameters:
fp
- fingerprint type is defined by the subclass using generics- Returns:
- similariy score
- Throws:
chemaxon.screen.SimilarityException
- If query has not been setted before or target and query fingerprint has different array length.chemaxon.descriptors.SimilarityException
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