Modifier and Type | Method and Description |
---|---|
IDescriptorResult |
AbstractAtomicDescriptor.getCachedDescriptorValue(IAtom atom)
Returns the cached DescriptorValue for the given IAtom.
|
IDescriptorResult |
AbstractBondDescriptor.getCachedDescriptorValue(IBond bond)
Returns the cached DescriptorValue for the given IBond.
|
IDescriptorResult |
IMolecularDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
DescriptorValue.getValue() |
Modifier and Type | Method and Description |
---|---|
void |
AbstractAtomicDescriptor.cacheDescriptorValue(IAtom atom,
IAtomContainer container,
IDescriptorResult value)
Caches a DescriptorValue for a given IAtom.
|
void |
AbstractBondDescriptor.cacheDescriptorValue(IBond bond,
IAtomContainer container,
IDescriptorResult doubleResult)
Caches a DescriptorValue for a given IBond.
|
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 |
---|---|
IDescriptorResult |
IPMolecularLearningDescriptor.getDescriptorResultType()
Deprecated.
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
AminoAcidCountDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
BondCountDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
HBondAcceptorCountDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
AutocorrelationDescriptorPolarizability.getDescriptorResultType() |
IDescriptorResult |
AromaticAtomsCountDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
KappaShapeIndicesDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
FragmentComplexityDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
AutocorrelationDescriptorMass.getDescriptorResultType() |
IDescriptorResult |
LargestPiSystemDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
FractionalPSADescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
ChiPathClusterDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
CarbonTypesDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
ChiChainDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
LengthOverBreadthDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
GravitationalIndexDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
CPSADescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
AutocorrelationDescriptorCharge.getDescriptorResultType() |
IDescriptorResult |
TPSADescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
FMFDescriptor.getDescriptorResultType()
Returns the specific type of the FMF descriptor value.
|
IDescriptorResult |
MomentOfInertiaDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
RotatableBondsCountDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
ChiPathDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
WeightDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
WeightedPathDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
ZagrebIndexDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
RuleOfFiveDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
APolDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
XLogPDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
AcidicGroupCountDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
LargestChainDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
JPlogPDescriptor.getDescriptorResultType() |
IDescriptorResult |
VAdjMaDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
EccentricConnectivityIndexDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
VABCDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
BPolDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
SpiroAtomCountDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
PetitjeanShapeIndexDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
PetitjeanNumberDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
FractionalCSP3Descriptor.getDescriptorResultType()
Returns the specific type of the Fsp3 descriptor value.
|
IDescriptorResult |
BasicGroupCountDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
BCUTDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
HBondDonorCountDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
KierHallSmartsDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
WHIMDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
ALOGPDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
MDEDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
LongestAliphaticChainDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
AromaticBondsCountDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
AtomCountDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
HybridizationRatioDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
ChiClusterDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
SmallRingDescriptor.getDescriptorResultType()
Returns a placeholder with the descriptor size and type.
|
IDescriptorResult |
MannholdLogPDescriptor.getDescriptorResultType()
Returns a type of return value calculated by this descriptor.
|
IDescriptorResult |
WienerNumbersDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
Modifier and Type | Method and Description |
---|---|
IDescriptorResult |
TaeAminoAcidDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
Modifier and Type | Method and Description |
---|---|
IDescriptorResult |
OxygenAtomCountDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
IDescriptorResult |
ISubstanceDescriptor.getDescriptorResultType()
Returns the specific type of the DescriptorResult object.
|
Modifier and Type | Class and Description |
---|---|
class |
BooleanResult
Object that provides access to the calculated descriptor value.
|
class |
BooleanResultType
IDescriptorResult type for boolean.
|
class |
DoubleArrayResult |
class |
DoubleArrayResultType
IDescriptorResult type for doubles.
|
class |
DoubleResult |
class |
DoubleResultType
IDescriptorResult type for double.
|
class |
IntegerArrayResult |
class |
IntegerArrayResultType
IDescriptorResult type for integers.
|
class |
IntegerResult
Object that provides access to the calculated descriptor value.
|
class |
IntegerResultType
IDescriptorResult type for integer.
|
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