Package org.openscience.cdk.qsar
Class AbstractMolecularDescriptor
- java.lang.Object
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- org.openscience.cdk.qsar.AbstractMolecularDescriptor
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- 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
public abstract class AbstractMolecularDescriptor extends Object implements IMolecularDescriptor
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 Constructor Description AbstractMolecularDescriptor()
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description protected 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
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Methods inherited from interface org.openscience.cdk.qsar.IDescriptor
getDescriptorNames, getParameterNames, getParameters, getParameterType, getSpecification, initialise, setParameters
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Methods inherited from interface org.openscience.cdk.qsar.IMolecularDescriptor
calculate, getDescriptorResultType
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Method Detail
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clone
protected static IAtomContainer clone(IAtomContainer mol)
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initialise
public void initialise(IChemObjectBuilder builder)
Default implementation of initialise allows optional override.- Specified by:
initialise
in interfaceIDescriptor
- Parameters:
builder
- chem object build
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