Package org.openscience.cdk.qsar
Class AbstractMolecularDescriptor
java.lang.Object
org.openscience.cdk.qsar.AbstractMolecularDescriptor
- All Implemented Interfaces:
IDescriptor
,IMolecularDescriptor
- Direct Known Subclasses:
AcidicGroupCountDescriptor
,ALOGPDescriptor
,AminoAcidCountDescriptor
,APolDescriptor
,AromaticAtomsCountDescriptor
,AromaticBondsCountDescriptor
,AtomCountDescriptor
,AutocorrelationDescriptorCharge
,AutocorrelationDescriptorMass
,AutocorrelationDescriptorPolarizability
,BasicGroupCountDescriptor
,BCUTDescriptor
,BondCountDescriptor
,BPolDescriptor
,CarbonTypesDescriptor
,ChiChainDescriptor
,ChiClusterDescriptor
,ChiPathClusterDescriptor
,ChiPathDescriptor
,CPSADescriptor
,EccentricConnectivityIndexDescriptor
,FMFDescriptor
,FractionalCSP3Descriptor
,FragmentComplexityDescriptor
,GravitationalIndexDescriptor
,HBondAcceptorCountDescriptor
,HBondDonorCountDescriptor
,HybridizationRatioDescriptor
,IPMolecularLearningDescriptor
,JPlogPDescriptor
,KappaShapeIndicesDescriptor
,KierHallSmartsDescriptor
,LargestChainDescriptor
,LargestPiSystemDescriptor
,LengthOverBreadthDescriptor
,LongestAliphaticChainDescriptor
,MannholdLogPDescriptor
,MDEDescriptor
,MomentOfInertiaDescriptor
,PetitjeanNumberDescriptor
,PetitjeanShapeIndexDescriptor
,RotatableBondsCountDescriptor
,RuleOfFiveDescriptor
,SpiroAtomCountDescriptor
,TaeAminoAcidDescriptor
,TPSADescriptor
,VABCDescriptor
,VAdjMaDescriptor
,WeightDescriptor
,WeightedPathDescriptor
,WHIMDescriptor
,WienerNumbersDescriptor
,XLogPDescriptor
,ZagrebIndexDescriptor
A super class for molecular descriptors allowing default implementations for
interface methods.
- Author:
- John May
- Source code:
- main
- Belongs to CDK module:
- qsar
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionprotected static IAtomContainer
clone
(IAtomContainer mol) void
initialise
(IChemObjectBuilder builder) Default implementation of initialise allows optional override.Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
Methods inherited from interface org.openscience.cdk.qsar.IDescriptor
getDescriptorNames, getParameterNames, getParameters, getParameterType, getSpecification, initialise, setParameters
Methods inherited from interface org.openscience.cdk.qsar.IMolecularDescriptor
calculate, getDescriptorResultType
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Constructor Details
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AbstractMolecularDescriptor
public AbstractMolecularDescriptor()
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Method Details
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clone
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initialise
Default implementation of initialise allows optional override.- Specified by:
initialise
in interfaceIDescriptor
- Parameters:
builder
- chem object build
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