mutant.descriptors
Class DescriptorIsAniline

java.lang.Object
  extended by mutant.descriptors.DescriptorStructurePresence<org.openscience.cdk.interfaces.IAtomContainer>
      extended by mutant.descriptors.DescriptorIsAniline
All Implemented Interfaces:
org.openscience.cdk.qsar.IDescriptor, org.openscience.cdk.qsar.IMolecularDescriptor

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

Returns true if aniline, false otherwise. Used in RuleDACancerogenicityAromaticAmines.

Author:
nina

Field Summary
protected static java.lang.String Aniline
           
protected  ambit2.smarts.query.ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer> smp
           
 
Fields inherited from class mutant.descriptors.DescriptorStructurePresence
fragment, logger, paramNames, resultName
 
Constructor Summary
DescriptorIsAniline()
           
 
Method Summary
 org.openscience.cdk.qsar.DescriptorValue calculate(org.openscience.cdk.interfaces.IAtomContainer container)
           
protected  ambit2.smarts.query.ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer> createSmartsPattern()
           
 org.openscience.cdk.qsar.DescriptorSpecification getSpecification()
           
 
Methods inherited from class mutant.descriptors.DescriptorStructurePresence
getDescriptorNames, getDescriptorResultType, getParameterNames, getParameters, getParameterType, getParamNames, getResultName, getSMARTS, setParameters, setParamNames, setResultName, setSMARTS, toString
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait
 

Field Detail

Aniline

protected static java.lang.String Aniline

smp

protected ambit2.smarts.query.ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer> smp
Constructor Detail

DescriptorIsAniline

public DescriptorIsAniline()
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>

calculate

public org.openscience.cdk.qsar.DescriptorValue calculate(org.openscience.cdk.interfaces.IAtomContainer container)
Specified by:
calculate in interface org.openscience.cdk.qsar.IMolecularDescriptor
Overrides:
calculate in class DescriptorStructurePresence<org.openscience.cdk.interfaces.IAtomContainer>


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