Package chemaxon.descriptors
Class BCUTGenerator
- java.lang.Object
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- chemaxon.descriptors.MDGenerator
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- chemaxon.descriptors.BCUTGenerator
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@PublicAPI public class BCUTGenerator extends MDGenerator
Descriptor generator class for theBCUT
descriptor.- Since:
- JChem 2.3
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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 BCUTGenerator()
Creates and initializes aBCUT
descriptor generator object.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description String[]
generate(Molecule m, MolecularDescriptor d)
Generates the BCUT descriptors for the given molecule.-
Methods inherited from class chemaxon.descriptors.MDGenerator
calcFreqCount, 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 BCUT descriptors for the given molecule. New instance of theBCUT
object is not allocated, theMolecularDescriptor
provided as a parameter is updated (thus it has to be allocated and initialized by the client of this class).- Specified by:
generate
in classMDGenerator
- Parameters:
m
- molecule for which the BCUT descriptor is createdd
- the BCUT descriptor generated- Returns:
- always null in the case of
BCUT
- Throws:
MDGeneratorException
- in the case of any failures to generate the descriptor
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