Package chemaxon.descriptors
Class RFGenerator
- java.lang.Object
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- chemaxon.descriptors.MDGenerator
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- chemaxon.descriptors.RFGenerator
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@PublicAPI public class RFGenerator extends MDGenerator
Generator class for theReactionFingerprint
descriptor.- Since:
- JChem 3.2
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Field Summary
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Fields inherited from class chemaxon.descriptors.MDGenerator
createStatistics, density, freqCount, maxNonEmptyId, maxNonEmptyPercent, minNonEmptyId, minNonEmptyPercent, molCount, sumNonEmptyPercent
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Constructor Summary
Constructors Constructor Description RFGenerator()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description protected int
calcFreqCount(MolecularDescriptor d)
Updates statistics gathered on fingerprints generated and get the number of non-zero cells.String[]
generate(Molecule m, MolecularDescriptor d)
Generates the reaction fingerprint for the given reaction molecule object.-
Methods inherited from class chemaxon.descriptors.MDGenerator
getAverageNonZeroRatio, getBrightestMolId, getDarkestMolId, getDensityCounts, getFrequencyCounts, getMaximumBitRatio, getMinimumBitRatio, getMoleculeCount, setCreateStatistics, updateStatistics
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Method Detail
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generate
public String[] generate(Molecule m, MolecularDescriptor d) throws MDGeneratorException
Generates the reaction fingerprint for the given reaction molecule object.- Specified by:
generate
in classMDGenerator
- Parameters:
m
- reaction (molecule) for which the fingerprint is createdd
- the reaction fingerprint generated- Returns:
- names of tags (properties) set (added) during fingerprint generation
- Throws:
MDGeneratorException
- in the case of any failures to generate the descriptor
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calcFreqCount
protected int calcFreqCount(MolecularDescriptor d)
Updates statistics gathered on fingerprints generated and get the number of non-zero cells.- Overrides:
calcFreqCount
in classMDGenerator
- Parameters:
d
- newly generatedMolecularDescriptor
- Returns:
- brightness of the fingerprint
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