Uses of Class
org.openscience.cdk.qsar.DescriptorSpecification

Packages that use DescriptorSpecification

Package	Description
org.openscience.cdk.qsar
org.openscience.cdk.qsar.descriptors.atomic
org.openscience.cdk.qsar.descriptors.atompair
org.openscience.cdk.qsar.descriptors.bond
org.openscience.cdk.qsar.descriptors.molecular
org.openscience.cdk.qsar.descriptors.protein
org.openscience.cdk.qsar.descriptors.substance

Uses of DescriptorSpecification in org.openscience.cdk.qsar

Methods in org.openscience.cdk.qsar that return DescriptorSpecification

Modifier and Type	Method and Description
DescriptorSpecification	DescriptorValue.getSpecification()

Methods in org.openscience.cdk.qsar with parameters of type DescriptorSpecification

Modifier and Type	Method and Description
String	DescriptorEngine.getDictionaryDefinition(DescriptorSpecification descriptorSpecification) Gets the definition of the descriptor.
String	DescriptorEngine.getDictionaryTitle(DescriptorSpecification descriptorSpecification) Gets the label (title) of the descriptor.

Constructors in org.openscience.cdk.qsar with parameters of type DescriptorSpecification

Constructor and Description
DescriptorValue(DescriptorSpecification specification, String[] parameterNames, Object[] parameterSettings, IDescriptorResult value, String[] descriptorNames) Construct a descriptor value object, representing the numeric values as well as parameters and provenance.
DescriptorValue(DescriptorSpecification specification, String[] parameterNames, Object[] parameterSettings, IDescriptorResult value, String[] descriptorNames, Exception exception) Construct a descriptor value object, representing the numeric values as well as parameters and provenance.

Uses of DescriptorSpecification in org.openscience.cdk.qsar.descriptors.atomic

Methods in org.openscience.cdk.qsar.descriptors.atomic that return DescriptorSpecification

Modifier and Type	Method and Description
DescriptorSpecification	IPAtomicLearningDescriptor.getSpecification() Deprecated. Gets the specification attribute of the IPAtomicLearningDescriptor object
DescriptorSpecification	VdWRadiusDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	StabilizationPlusChargeDescriptor.getSpecification() Gets the specification attribute of the StabilizationPlusChargeDescriptor object
DescriptorSpecification	SigmaElectronegativityDescriptor.getSpecification() Gets the specification attribute of the SigmaElectronegativityDescriptor object
DescriptorSpecification	RDFProtonDescriptor_GSR.getSpecification() Gets the specification attribute of the RDFProtonDescriptor_GSR object
DescriptorSpecification	RDFProtonDescriptor_GHR_topol.getSpecification() Gets the specification attribute of the RDFProtonDescriptor_GHR_topol object
DescriptorSpecification	RDFProtonDescriptor_GHR.getSpecification() Gets the specification attribute of the RDFProtonDescriptor_GHR object
DescriptorSpecification	RDFProtonDescriptor_GDR.getSpecification() Gets the specification attribute of the RDFProtonDescriptor_GDR object
DescriptorSpecification	RDFProtonDescriptor_G3R.getSpecification() Gets the specification attribute of the RDFProtonDescriptor_G3R object
DescriptorSpecification	ProtonTotalPartialChargeDescriptor.getSpecification() Gets the specification attribute of the ProtonTotalPartialChargeDescriptor object
DescriptorSpecification	ProtonAffinityHOSEDescriptor.getSpecification() Gets the specification attribute of the ProtonAffinityDescriptor object
DescriptorSpecification	PiElectronegativityDescriptor.getSpecification() Gets the specification attribute of the PiElectronegativityDescriptor object
DescriptorSpecification	PeriodicTablePositionDescriptor.getSpecification() Gets the specification attribute of the PeriodicTablePositionDescriptor object
DescriptorSpecification	PartialTChargePEOEDescriptor.getSpecification() Gets the specification attribute of the PartialTChargePEOEDescriptor object
DescriptorSpecification	PartialTChargeMMFF94Descriptor.getSpecification() Gets the specification attribute of the PartialTChargeMMFF94Descriptor object
DescriptorSpecification	PartialSigmaChargeDescriptor.getSpecification() Gets the specification attribute of the PartialSigmaChargeDescriptor object
DescriptorSpecification	PartialPiChargeDescriptor.getSpecification() Gets the specification attribute of the PartialPiChargeDescriptor object
DescriptorSpecification	IsProtonInConjugatedPiSystemDescriptor.getSpecification() Gets the specification attribute of the IsProtonInConjugatedPiSystemDescriptor object
DescriptorSpecification	IsProtonInAromaticSystemDescriptor.getSpecification() Gets the specification attribute of the IsProtonInAromaticSystemDescriptor object
DescriptorSpecification	InductiveAtomicSoftnessDescriptor.getSpecification() Gets the specification attribute of the InductiveAtomicSoftnessDescriptor object
DescriptorSpecification	InductiveAtomicHardnessDescriptor.getSpecification() Gets the specification attribute of the InductiveAtomicHardnessDescriptor object
DescriptorSpecification	IPAtomicHOSEDescriptor.getSpecification() Gets the specification attribute of the IPAtomicHOSEDescriptor object
DescriptorSpecification	EffectiveAtomPolarizabilityDescriptor.getSpecification() Gets the specification attribute of the EffectiveAtomPolarizabilityDescriptor object
DescriptorSpecification	DistanceToAtomDescriptor.getSpecification() Gets the specification attribute of the DistanceToAtomDescriptor object
DescriptorSpecification	CovalentRadiusDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	BondsToAtomDescriptor.getSpecification() Gets the specification attribute of the BondsToAtomDescriptor object
DescriptorSpecification	AtomValenceDescriptor.getSpecification() Gets the specification attribute of the AtomValenceDescriptor object
DescriptorSpecification	AtomHybridizationVSEPRDescriptor.getSpecification() Gets the specification attribute of the AtomHybridizationVSEPRDescriptor object
DescriptorSpecification	AtomHybridizationDescriptor.getSpecification() Gets the specification attribute of the AtomHybridizationDescriptor object
DescriptorSpecification	AtomDegreeDescriptor.getSpecification()

Uses of DescriptorSpecification in org.openscience.cdk.qsar.descriptors.atompair

Methods in org.openscience.cdk.qsar.descriptors.atompair that return DescriptorSpecification

Modifier and Type	Method and Description
DescriptorSpecification	PiContactDetectionDescriptor.getSpecification() Gets the specification attribute of the PiContactDetectionDescriptor object.

Uses of DescriptorSpecification in org.openscience.cdk.qsar.descriptors.bond

Methods in org.openscience.cdk.qsar.descriptors.bond that return DescriptorSpecification

Modifier and Type	Method and Description
DescriptorSpecification	IPBondLearningDescriptor.getSpecification() Deprecated. Gets the specification attribute of the IPBondLearningDescriptor object
DescriptorSpecification	BondSigmaElectronegativityDescriptor.getSpecification() Gets the specification attribute of the BondSigmaElectronegativityDescriptor object.
DescriptorSpecification	BondPartialTChargeDescriptor.getSpecification() Gets the specification attribute of the BondPartialTChargeDescriptor object.
DescriptorSpecification	BondPartialSigmaChargeDescriptor.getSpecification() Gets the specification attribute of the BondPartialSigmaChargeDescriptor object.
DescriptorSpecification	BondPartialPiChargeDescriptor.getSpecification() Gets the specification attribute of the BondPartialPiChargeDescriptor object.
DescriptorSpecification	AtomicNumberDifferenceDescriptor.getSpecification()

Uses of DescriptorSpecification in org.openscience.cdk.qsar.descriptors.molecular

Methods in org.openscience.cdk.qsar.descriptors.molecular that return DescriptorSpecification

Modifier and Type	Method and Description
DescriptorSpecification	AminoAcidCountDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	IPMolecularLearningDescriptor.getSpecification() Deprecated. Gets the specification attribute of the IPMolecularLearningDescriptor object
DescriptorSpecification	ZagrebIndexDescriptor.getSpecification() Gets the specification attribute of the ZagrebIndexDescriptor object.
DescriptorSpecification	XLogPDescriptor.getSpecification() Gets the specification attribute of the XLogPDescriptor object.
DescriptorSpecification	WienerNumbersDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	WeightedPathDescriptor.getSpecification()
DescriptorSpecification	WeightDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	WHIMDescriptor.getSpecification()
DescriptorSpecification	VAdjMaDescriptor.getSpecification() Gets the specification attribute of the VAdjMaDescriptor object
DescriptorSpecification	VABCDescriptor.getSpecification() Returns a IImplementationSpecification which specifies which descriptor is implemented by this class.
DescriptorSpecification	TPSADescriptor.getSpecification() Gets the specification attribute of the TPSADescriptor object.
DescriptorSpecification	SmallRingDescriptor.getSpecification() Fetch descriptor specification.
DescriptorSpecification	RuleOfFiveDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	RotatableBondsCountDescriptor.getSpecification() Gets the specification attribute of the RotatableBondsCountDescriptor object
DescriptorSpecification	PetitjeanShapeIndexDescriptor.getSpecification()
DescriptorSpecification	PetitjeanNumberDescriptor.getSpecification() Gets the specification attribute of the PetitjeanNumberDescriptor object
DescriptorSpecification	MomentOfInertiaDescriptor.getSpecification()
DescriptorSpecification	MannholdLogPDescriptor.getSpecification() Gets the specification attribute of the MannholdLogPDescriptor object.
DescriptorSpecification	MDEDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	LongestAliphaticChainDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	LengthOverBreadthDescriptor.getSpecification() Gets the specification attribute of the PetitjeanNumberDescriptor object
DescriptorSpecification	LargestPiSystemDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	LargestChainDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	KierHallSmartsDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	KappaShapeIndicesDescriptor.getSpecification() Gets the specification attribute of the KappaShapeIndicesDescriptor object
DescriptorSpecification	HybridizationRatioDescriptor.getSpecification() Returns a DescriptorSpecification which specifies which descriptor is implemented by this class.
DescriptorSpecification	HBondDonorCountDescriptor.getSpecification() Gets the specification attribute of the HBondDonorCountDescriptor object
DescriptorSpecification	HBondAcceptorCountDescriptor.getSpecification() Gets the specification attribute of the HBondAcceptorCountDescriptor object.
DescriptorSpecification	GravitationalIndexDescriptor.getSpecification()
DescriptorSpecification	FragmentComplexityDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	FractionalPSADescriptor.getSpecification() Returns a IImplementationSpecification which specifies which descriptor is implemented by this class.
DescriptorSpecification	FMFDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	EccentricConnectivityIndexDescriptor.getSpecification()
DescriptorSpecification	ChiPathDescriptor.getSpecification()
DescriptorSpecification	ChiPathClusterDescriptor.getSpecification()
DescriptorSpecification	ChiClusterDescriptor.getSpecification()
DescriptorSpecification	ChiChainDescriptor.getSpecification()
DescriptorSpecification	CarbonTypesDescriptor.getSpecification()
DescriptorSpecification	CPSADescriptor.getSpecification()
DescriptorSpecification	BondCountDescriptor.getSpecification() Gets the specification attribute of the BondCountDescriptor object
DescriptorSpecification	BasicGroupCountDescriptor.getSpecification() Returns a IImplementationSpecification which specifies which descriptor is implemented by this class.
DescriptorSpecification	BPolDescriptor.getSpecification()
DescriptorSpecification	BCUTDescriptor.getSpecification()
DescriptorSpecification	AutocorrelationDescriptorPolarizability.getSpecification()
DescriptorSpecification	AutocorrelationDescriptorMass.getSpecification()
DescriptorSpecification	AutocorrelationDescriptorCharge.getSpecification()
DescriptorSpecification	AtomCountDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	AromaticBondsCountDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	AromaticAtomsCountDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	AcidicGroupCountDescriptor.getSpecification() Returns a IImplementationSpecification which specifies which descriptor is implemented by this class.
DescriptorSpecification	APolDescriptor.getSpecification() Returns a Map which specifies which descriptor is implemented by this class.
DescriptorSpecification	ALOGPDescriptor.getSpecification()

Uses of DescriptorSpecification in org.openscience.cdk.qsar.descriptors.protein

Methods in org.openscience.cdk.qsar.descriptors.protein that return DescriptorSpecification

Modifier and Type	Method and Description
DescriptorSpecification	TaeAminoAcidDescriptor.getSpecification()

Uses of DescriptorSpecification in org.openscience.cdk.qsar.descriptors.substance

Methods in org.openscience.cdk.qsar.descriptors.substance that return DescriptorSpecification

Modifier and Type	Method and Description
DescriptorSpecification	OxygenAtomCountDescriptor.getSpecification() Returns a IImplementationSpecification which specifies which descriptor is implemented by this class.