mutant.descriptors
Class DescriptorStructurePresence<T>

java.lang.Object
  extended by mutant.descriptors.DescriptorStructurePresence<T>
All Implemented Interfaces:
org.openscience.cdk.qsar.IDescriptor, org.openscience.cdk.qsar.IMolecularDescriptor
Direct Known Subclasses:
DescriptorBridgedBiphenyl, DescriptorHasNO2Group, DescriptorIsAniline

public abstract class DescriptorStructurePresence<T>
extends java.lang.Object
implements org.openscience.cdk.qsar.IMolecularDescriptor


Field Summary
protected  ambit2.smarts.query.ISmartsPattern<T> fragment
           
protected static TTLogger logger
           
protected  java.lang.String[] paramNames
           
protected  java.lang.String resultName
           
 
Constructor Summary
DescriptorStructurePresence()
           
 
Method Summary
 org.openscience.cdk.qsar.DescriptorValue calculate(org.openscience.cdk.interfaces.IAtomContainer container)
           
protected abstract  ambit2.smarts.query.ISmartsPattern<T> createSmartsPattern()
           
 java.lang.String[] getDescriptorNames()
           
 org.openscience.cdk.qsar.result.IDescriptorResult getDescriptorResultType()
           
 java.lang.String[] getParameterNames()
           
 java.lang.Object[] getParameters()
           
 java.lang.Object getParameterType(java.lang.String name)
           
 java.lang.String[] getParamNames()
           
 java.lang.String getResultName()
           
 java.lang.String getSMARTS()
           
 org.openscience.cdk.qsar.DescriptorSpecification getSpecification()
           
 void setParameters(java.lang.Object[] params)
           
 void setParamNames(java.lang.String[] paramNames)
           
 void setResultName(java.lang.String resultName)
           
 void setSMARTS(java.lang.String smarts)
           
 java.lang.String toString()
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait
 

Field Detail

logger

protected static TTLogger logger

paramNames

protected java.lang.String[] paramNames

fragment

protected ambit2.smarts.query.ISmartsPattern<T> fragment

resultName

protected java.lang.String resultName
Constructor Detail

DescriptorStructurePresence

public DescriptorStructurePresence()
Method Detail

getSMARTS

public java.lang.String getSMARTS()

createSmartsPattern

protected abstract ambit2.smarts.query.ISmartsPattern<T> createSmartsPattern()

setSMARTS

public void setSMARTS(java.lang.String smarts)
               throws ambit2.smarts.query.SMARTSException
Throws:
ambit2.smarts.query.SMARTSException

calculate

public org.openscience.cdk.qsar.DescriptorValue calculate(org.openscience.cdk.interfaces.IAtomContainer container)
Specified by:
calculate in interface org.openscience.cdk.qsar.IMolecularDescriptor

getDescriptorResultType

public org.openscience.cdk.qsar.result.IDescriptorResult getDescriptorResultType()
Specified by:
getDescriptorResultType in interface org.openscience.cdk.qsar.IMolecularDescriptor

getParameterNames

public java.lang.String[] getParameterNames()
Specified by:
getParameterNames in interface org.openscience.cdk.qsar.IDescriptor

getParameterType

public java.lang.Object getParameterType(java.lang.String name)
Specified by:
getParameterType in interface org.openscience.cdk.qsar.IDescriptor

getParameters

public java.lang.Object[] getParameters()
Specified by:
getParameters in interface org.openscience.cdk.qsar.IDescriptor

getSpecification

public org.openscience.cdk.qsar.DescriptorSpecification getSpecification()
Specified by:
getSpecification in interface org.openscience.cdk.qsar.IDescriptor

setParameters

public void setParameters(java.lang.Object[] params)
                   throws org.openscience.cdk.exception.CDKException
Specified by:
setParameters in interface org.openscience.cdk.qsar.IDescriptor
Throws:
org.openscience.cdk.exception.CDKException

getParamNames

public java.lang.String[] getParamNames()

setParamNames

public void setParamNames(java.lang.String[] paramNames)

setResultName

public void setResultName(java.lang.String resultName)

getResultName

public java.lang.String getResultName()

toString

public java.lang.String toString()
Overrides:
toString in class java.lang.Object

getDescriptorNames

public java.lang.String[] getDescriptorNames()
Specified by:
getDescriptorNames in interface org.openscience.cdk.qsar.IDescriptor


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