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