Uses of Class
org.openscience.cdk.qsar.DescriptorSpecification
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Uses of DescriptorSpecification in org.openscience.cdk.qsar
Methods in org.openscience.cdk.qsar that return DescriptorSpecification Modifier and Type Method Description DescriptorSpecification
DescriptorValue. getSpecification()
Methods in org.openscience.cdk.qsar with parameters of type DescriptorSpecification Modifier and Type Method 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 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 Description DescriptorSpecification
AtomDegreeDescriptor. getSpecification()
DescriptorSpecification
AtomHybridizationDescriptor. getSpecification()
Gets the specification attribute of the AtomHybridizationDescriptor objectDescriptorSpecification
AtomHybridizationVSEPRDescriptor. getSpecification()
Gets the specification attribute of the AtomHybridizationVSEPRDescriptor objectDescriptorSpecification
AtomValenceDescriptor. getSpecification()
Gets the specification attribute of the AtomValenceDescriptor objectDescriptorSpecification
BondsToAtomDescriptor. getSpecification()
Gets the specification attribute of the BondsToAtomDescriptor objectDescriptorSpecification
CovalentRadiusDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
DistanceToAtomDescriptor. getSpecification()
Gets the specification attribute of the DistanceToAtomDescriptor objectDescriptorSpecification
EffectiveAtomPolarizabilityDescriptor. getSpecification()
Gets the specification attribute of the EffectiveAtomPolarizabilityDescriptor objectDescriptorSpecification
InductiveAtomicHardnessDescriptor. getSpecification()
Gets the specification attribute of the InductiveAtomicHardnessDescriptor objectDescriptorSpecification
InductiveAtomicSoftnessDescriptor. getSpecification()
Gets the specification attribute of the InductiveAtomicSoftnessDescriptor objectDescriptorSpecification
IPAtomicHOSEDescriptor. getSpecification()
Gets the specification attribute of the IPAtomicHOSEDescriptor objectDescriptorSpecification
IPAtomicLearningDescriptor. getSpecification()
Deprecated.Gets the specification attribute of the IPAtomicLearningDescriptor objectDescriptorSpecification
IsProtonInAromaticSystemDescriptor. getSpecification()
Gets the specification attribute of the IsProtonInAromaticSystemDescriptor objectDescriptorSpecification
IsProtonInConjugatedPiSystemDescriptor. getSpecification()
Gets the specification attribute of the IsProtonInConjugatedPiSystemDescriptor objectDescriptorSpecification
PartialPiChargeDescriptor. getSpecification()
Gets the specification attribute of the PartialPiChargeDescriptor objectDescriptorSpecification
PartialSigmaChargeDescriptor. getSpecification()
Gets the specification attribute of the PartialSigmaChargeDescriptor objectDescriptorSpecification
PartialTChargeMMFF94Descriptor. getSpecification()
Gets the specification attribute of the PartialTChargeMMFF94Descriptor objectDescriptorSpecification
PartialTChargePEOEDescriptor. getSpecification()
Gets the specification attribute of the PartialTChargePEOEDescriptor objectDescriptorSpecification
PeriodicTablePositionDescriptor. getSpecification()
Gets the specification attribute of the PeriodicTablePositionDescriptor objectDescriptorSpecification
PiElectronegativityDescriptor. getSpecification()
Gets the specification attribute of the PiElectronegativityDescriptor objectDescriptorSpecification
ProtonAffinityHOSEDescriptor. getSpecification()
Gets the specification attribute of the ProtonAffinityDescriptor objectDescriptorSpecification
ProtonTotalPartialChargeDescriptor. getSpecification()
Gets the specification attribute of the ProtonTotalPartialChargeDescriptor objectDescriptorSpecification
RDFProtonDescriptor_G3R. getSpecification()
Gets the specification attribute of the RDFProtonDescriptor_G3R objectDescriptorSpecification
RDFProtonDescriptor_GDR. getSpecification()
Gets the specification attribute of the RDFProtonDescriptor_GDR objectDescriptorSpecification
RDFProtonDescriptor_GHR_topol. getSpecification()
Gets the specification attribute of the RDFProtonDescriptor_GHR_topol objectDescriptorSpecification
RDFProtonDescriptor_GHR. getSpecification()
Gets the specification attribute of the RDFProtonDescriptor_GHR objectDescriptorSpecification
RDFProtonDescriptor_GSR. getSpecification()
Gets the specification attribute of the RDFProtonDescriptor_GSR objectDescriptorSpecification
SigmaElectronegativityDescriptor. getSpecification()
Gets the specification attribute of the SigmaElectronegativityDescriptor objectDescriptorSpecification
StabilizationPlusChargeDescriptor. getSpecification()
Gets the specification attribute of the StabilizationPlusChargeDescriptor objectDescriptorSpecification
VdWRadiusDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class. -
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 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 Description DescriptorSpecification
AtomicNumberDifferenceDescriptor. getSpecification()
DescriptorSpecification
BondPartialPiChargeDescriptor. getSpecification()
Gets the specification attribute of the BondPartialPiChargeDescriptor object.DescriptorSpecification
BondPartialSigmaChargeDescriptor. getSpecification()
Gets the specification attribute of the BondPartialSigmaChargeDescriptor object.DescriptorSpecification
BondPartialTChargeDescriptor. getSpecification()
Gets the specification attribute of the BondPartialTChargeDescriptor object.DescriptorSpecification
BondSigmaElectronegativityDescriptor. getSpecification()
Gets the specification attribute of the BondSigmaElectronegativityDescriptor object.DescriptorSpecification
IPBondLearningDescriptor. getSpecification()
Deprecated.Gets the specification attribute of the IPBondLearningDescriptor object -
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 Description DescriptorSpecification
AcidicGroupCountDescriptor. getSpecification()
Returns aIImplementationSpecification
which specifies which descriptor is implemented by this class.DescriptorSpecification
ALOGPDescriptor. getSpecification()
DescriptorSpecification
AminoAcidCountDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
APolDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
AromaticAtomsCountDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
AromaticBondsCountDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
AtomCountDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
AutocorrelationDescriptorCharge. getSpecification()
DescriptorSpecification
AutocorrelationDescriptorMass. getSpecification()
DescriptorSpecification
AutocorrelationDescriptorPolarizability. getSpecification()
DescriptorSpecification
BasicGroupCountDescriptor. getSpecification()
Returns aIImplementationSpecification
which specifies which descriptor is implemented by this class.DescriptorSpecification
BCUTDescriptor. getSpecification()
DescriptorSpecification
BondCountDescriptor. getSpecification()
Gets the specification attribute of the BondCountDescriptor objectDescriptorSpecification
BPolDescriptor. getSpecification()
DescriptorSpecification
CarbonTypesDescriptor. getSpecification()
DescriptorSpecification
ChiChainDescriptor. getSpecification()
DescriptorSpecification
ChiClusterDescriptor. getSpecification()
DescriptorSpecification
ChiPathClusterDescriptor. getSpecification()
DescriptorSpecification
ChiPathDescriptor. getSpecification()
DescriptorSpecification
CPSADescriptor. getSpecification()
DescriptorSpecification
EccentricConnectivityIndexDescriptor. getSpecification()
DescriptorSpecification
FMFDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
FractionalCSP3Descriptor. getSpecification()
Returns aIImplementationSpecification
which specifies which descriptor is implemented by this class.DescriptorSpecification
FractionalPSADescriptor. getSpecification()
Returns aIImplementationSpecification
which specifies which descriptor is implemented by this class.DescriptorSpecification
FragmentComplexityDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
GravitationalIndexDescriptor. getSpecification()
DescriptorSpecification
HBondAcceptorCountDescriptor. getSpecification()
Gets the specification attribute of the HBondAcceptorCountDescriptor object.DescriptorSpecification
HBondDonorCountDescriptor. getSpecification()
Gets the specification attribute of the HBondDonorCountDescriptor objectDescriptorSpecification
HybridizationRatioDescriptor. getSpecification()
Returns aDescriptorSpecification
which specifies which descriptor is implemented by this class.DescriptorSpecification
IPMolecularLearningDescriptor. getSpecification()
Deprecated.Gets the specification attribute of the IPMolecularLearningDescriptor objectDescriptorSpecification
JPlogPDescriptor. getSpecification()
DescriptorSpecification
KappaShapeIndicesDescriptor. getSpecification()
Gets the specification attribute of the KappaShapeIndicesDescriptor objectDescriptorSpecification
KierHallSmartsDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
LargestChainDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
LargestPiSystemDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
LengthOverBreadthDescriptor. getSpecification()
Gets the specification attribute of the PetitjeanNumberDescriptor objectDescriptorSpecification
LongestAliphaticChainDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
MannholdLogPDescriptor. getSpecification()
Gets the specification attribute of the MannholdLogPDescriptor object.DescriptorSpecification
MDEDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
MomentOfInertiaDescriptor. getSpecification()
DescriptorSpecification
PetitjeanNumberDescriptor. getSpecification()
Gets the specification attribute of the PetitjeanNumberDescriptor objectDescriptorSpecification
PetitjeanShapeIndexDescriptor. getSpecification()
DescriptorSpecification
RotatableBondsCountDescriptor. getSpecification()
Gets the specification attribute of the RotatableBondsCountDescriptor objectDescriptorSpecification
RuleOfFiveDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
SmallRingDescriptor. getSpecification()
Fetch descriptor specification.DescriptorSpecification
SpiroAtomCountDescriptor. getSpecification()
Returns aIImplementationSpecification
which specifies which descriptor is implemented by this class.DescriptorSpecification
TPSADescriptor. getSpecification()
Gets the specification attribute of the TPSADescriptor object.DescriptorSpecification
VABCDescriptor. getSpecification()
Returns aIImplementationSpecification
which specifies which descriptor is implemented by this class.DescriptorSpecification
VAdjMaDescriptor. getSpecification()
Gets the specification attribute of the VAdjMaDescriptor objectDescriptorSpecification
WeightDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
WeightedPathDescriptor. getSpecification()
DescriptorSpecification
WHIMDescriptor. getSpecification()
DescriptorSpecification
WienerNumbersDescriptor. getSpecification()
Returns aMap
which specifies which descriptor is implemented by this class.DescriptorSpecification
XLogPDescriptor. getSpecification()
Gets the specification attribute of the XLogPDescriptor object.DescriptorSpecification
ZagrebIndexDescriptor. getSpecification()
Gets the specification attribute of the ZagrebIndexDescriptor object. -
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 Description DescriptorSpecification
TaeAminoAcidDescriptor. getSpecification()
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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 Description DescriptorSpecification
OxygenAtomCountDescriptor. getSpecification()
Returns aIImplementationSpecification
which specifies which descriptor is implemented by this class.
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