toxTree.core
Class ToxTreeDescriptor

java.lang.Object
  extended by toxTree.core.ToxTreeDescriptor
All Implemented Interfaces:
org.openscience.cdk.qsar.IDescriptor, org.openscience.cdk.qsar.IMolecularDescriptor

public class ToxTreeDescriptor
extends java.lang.Object
implements org.openscience.cdk.qsar.IMolecularDescriptor


Field Summary
protected  IDecisionMethod decisionTree
           
protected  java.lang.String[] descriptorNames
           
protected  java.lang.Object[] parameters
           
protected  java.lang.String[] paramNames
           
 
Constructor Summary
ToxTreeDescriptor()
           
 
Method Summary
 org.openscience.cdk.qsar.DescriptorValue calculate(org.openscience.cdk.interfaces.IAtomContainer mol)
           
 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 arg0)
           
 org.openscience.cdk.qsar.DescriptorSpecification getSpecification()
           
 void setParameters(java.lang.Object[] arg0)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

paramNames

protected java.lang.String[] paramNames

parameters

protected java.lang.Object[] parameters

decisionTree

protected transient IDecisionMethod decisionTree

descriptorNames

protected java.lang.String[] descriptorNames
Constructor Detail

ToxTreeDescriptor

public ToxTreeDescriptor()
Method Detail

calculate

public org.openscience.cdk.qsar.DescriptorValue calculate(org.openscience.cdk.interfaces.IAtomContainer mol)
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 arg0)
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[] arg0)
                   throws org.openscience.cdk.exception.CDKException
Specified by:
setParameters in interface org.openscience.cdk.qsar.IDescriptor
Throws:
org.openscience.cdk.exception.CDKException

getDescriptorNames

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


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