ambit2.descriptors.constitutional

Class AbstractAtomCountDescriptor

java.lang.Object

org.openscience.cdk.qsar.AbstractMolecularDescriptor

ambit2.descriptors.constitutional.AbstractAtomCountDescriptor

All Implemented Interfaces:

org.openscience.cdk.qsar.IDescriptor, org.openscience.cdk.qsar.IMolecularDescriptor

Direct Known Subclasses:

AtomCountHybridizationDescriptor, AtomCountRelativeDescriptor, HeteroAtomCountDescriptor

public abstract class AbstractAtomCountDescriptor
extends org.openscience.cdk.qsar.AbstractMolecularDescriptor

Field Summary

Fields

Modifier and Type	Field and Description
protected String[]	descriptorNames

Constructor Summary

Constructors

Constructor and Description
AbstractAtomCountDescriptor(String[] names)

Method Summary

Modifier and Type	Method and Description
org.openscience.cdk.qsar.DescriptorValue	calculate(org.openscience.cdk.interfaces.IAtomContainer container)
abstract org.openscience.cdk.qsar.DescriptorValue	calculateCounts(org.openscience.cdk.interfaces.IAtomContainer container)
String[]	getDescriptorNames()
org.openscience.cdk.qsar.result.IDescriptorResult	getDescriptorResultType()
String[]	getParameterNames()
Object[]	getParameters()
Object	getParameterType(String name)
org.openscience.cdk.qsar.DescriptorSpecification	getSpecification()
void	initialise(org.openscience.cdk.interfaces.IChemObjectBuilder arg0)
void	setParameters(Object[] params)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

descriptorNames

protected final String[] descriptorNames

Constructor Detail

AbstractAtomCountDescriptor

public AbstractAtomCountDescriptor(String[] names)

Method Detail

getDescriptorNames

public String[] getDescriptorNames()

setParameters

public void setParameters(Object[] params)
                   throws org.openscience.cdk.exception.CDKException

Throws:

org.openscience.cdk.exception.CDKException

getParameters

public Object[] getParameters()

getDescriptorResultType

public org.openscience.cdk.qsar.result.IDescriptorResult getDescriptorResultType()

getParameterNames

public String[] getParameterNames()

getParameterType

public Object getParameterType(String name)

getSpecification

public org.openscience.cdk.qsar.DescriptorSpecification getSpecification()

calculate

public org.openscience.cdk.qsar.DescriptorValue calculate(org.openscience.cdk.interfaces.IAtomContainer container)

calculateCounts

public abstract org.openscience.cdk.qsar.DescriptorValue calculateCounts(org.openscience.cdk.interfaces.IAtomContainer container)
                                                                  throws org.openscience.cdk.exception.CDKException

Throws:

org.openscience.cdk.exception.CDKException

initialise

public void initialise(org.openscience.cdk.interfaces.IChemObjectBuilder arg0)

Specified by:

initialise in interface org.openscience.cdk.qsar.IDescriptor

Overrides:

initialise in class org.openscience.cdk.qsar.AbstractMolecularDescriptor