toxTree.core
Class ToxTreeDescriptor
java.lang.Object
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
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
paramNames
protected java.lang.String[] paramNames
parameters
protected java.lang.Object[] parameters
decisionTree
protected transient IDecisionMethod decisionTree
descriptorNames
protected java.lang.String[] descriptorNames
ToxTreeDescriptor
public ToxTreeDescriptor()
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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