toxtree.plugins.ames.descriptors

Class DescriptorHasNO2Group

java.lang.Object

toxtree.plugins.ames.descriptors.DescriptorStructurePresence<org.openscience.cdk.interfaces.IAtomContainer>

toxtree.plugins.ames.descriptors.DescriptorHasNO2Group

All Implemented Interfaces:

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

public class DescriptorHasNO2Group
extends DescriptorStructurePresence<org.openscience.cdk.interfaces.IAtomContainer>

Field Summary

Fields

Modifier and Type	Field and Description
protected static String	NO2

Fields inherited from class toxtree.plugins.ames.descriptors.DescriptorStructurePresence

fragment, logger, paramNames, resultName

Constructor Summary

Constructors

Constructor and Description
DescriptorHasNO2Group()

Method Summary

Modifier and Type	Method and Description
protected ambit2.smarts.query.ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer>	createSmartsPattern()
org.openscience.cdk.qsar.DescriptorSpecification	getSpecification()

Methods inherited from class toxtree.plugins.ames.descriptors.DescriptorStructurePresence

calculate, getDescriptorNames, getDescriptorResultType, getParameterNames, getParameters, getParameterType, getParamNames, getResultName, getSMARTS, initialise, setParameters, setParamNames, setResultName, setSMARTS, toString

Methods inherited from class java.lang.Object

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

Field Detail

NO2

protected static String NO2

Constructor Detail

DescriptorHasNO2Group

public DescriptorHasNO2Group()

Method Detail

getSpecification

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

Specified by:

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

Overrides:

getSpecification in class DescriptorStructurePresence<org.openscience.cdk.interfaces.IAtomContainer>

createSmartsPattern

protected ambit2.smarts.query.ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer> createSmartsPattern()

Specified by:

createSmartsPattern in class DescriptorStructurePresence<org.openscience.cdk.interfaces.IAtomContainer>