toxTree.qsar

Class QSARDescriptor

java.lang.Object

toxTree.qsar.QSARDescriptor

All Implemented Interfaces:

Serializable, Comparable<String>

public class QSARDescriptor
extends Object
implements Serializable, Comparable<String>

Encapsulating descriptor name (in a model) and descriptor calculation

Author:

nina

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
protected boolean	calculated
protected org.openscience.cdk.qsar.IMolecularDescriptor	descriptor
protected String	descriptorClass
protected String	descriptorName

Constructor Summary

Constructors

Constructor and Description
QSARDescriptor(String name, org.openscience.cdk.qsar.IMolecularDescriptor descriptor)

Method Summary

Modifier and Type	Method and Description
int	compareTo(String arg0)
boolean	equals(Object arg0)
org.openscience.cdk.qsar.IMolecularDescriptor	getDescriptor()
String	getDescriptorName()
boolean	isCalculated()
void	setCalculated(boolean calculated)
void	setDescriptor(org.openscience.cdk.qsar.IMolecularDescriptor descriptor)
void	setDescriptorName(String descriptorName)

Methods inherited from class java.lang.Object

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

Field Detail

descriptorName

protected String descriptorName

descriptor

protected transient org.openscience.cdk.qsar.IMolecularDescriptor descriptor

calculated

protected boolean calculated

descriptorClass

protected String descriptorClass

Constructor Detail

QSARDescriptor

public QSARDescriptor(String name,
                      org.openscience.cdk.qsar.IMolecularDescriptor descriptor)

Method Detail

getDescriptor

public org.openscience.cdk.qsar.IMolecularDescriptor getDescriptor()

setDescriptor

public void setDescriptor(org.openscience.cdk.qsar.IMolecularDescriptor descriptor)

getDescriptorName

public String getDescriptorName()

setDescriptorName

public void setDescriptorName(String descriptorName)

isCalculated

public boolean isCalculated()

setCalculated

public void setCalculated(boolean calculated)

compareTo

public int compareTo(String arg0)

Specified by:

compareTo in interface Comparable<String>

equals

public boolean equals(Object arg0)

Overrides:

equals in class Object