sicret

Class SicretRules

java.lang.Object

java.util.Observable

toxTree.tree.AbstractTree

toxTree.tree.UserDefinedTree

sicret.SicretRules

All Implemented Interfaces:

ambit2.core.data.IObject2Properties<UserDefinedTree>, ambit2.core.data.IStructureDiagramDepiction<BufferedImage>, ambit2.core.data.IStructureDiagramHighlights, Serializable, Cloneable, Observer, net.idea.modbcum.i.processors.IProcessor<UserDefinedTree,List<ambit2.base.data.Property>>, org.openscience.cdk.qsar.IDescriptor, org.openscience.cdk.qsar.IMolecularDescriptor, IDecisionInteractive, IDecisionMethod, IDecisionMethodPrority, XMLSerializable

public class SicretRules
extends UserDefinedTree
implements IDecisionInteractive

Decision tree for estimating skin irritation and corrosion potential. Implements rules publlished in The Skin Irritation Corrosion Rules Estimation Tool (SICRET), John D. Walker, Ingrid Gerner, Etje Hulzebos, Kerstin Schlegel, QSAR Comb. Sci. 2005, 24, pp378-384.

Rules:

• physicochemical property limits
• structural rules
• implementation in sicret.rules package

Categories:

• CategoryNotCorrosive
• CategoryNotIrritatingOrCorrosive
• CategoryNotIrritating
• CategoryIrritating
• CategoryCorrosive
• CategoryIrritatingOrCorrosive
• CategoryUnknown

Version:

0.1, 2005-4-30

Author:

Nina Jeliazkova, Martin Martinov

See Also:

Serialized Form

Nested Class Summary

Nested classes/interfaces inherited from interface toxTree.core.IDecisionInteractive

IDecisionInteractive.UserOptions

Field Summary

Fields

Modifier and Type	Field and Description
static String[]	c_rules
protected boolean	interactive
protected boolean	residuesIDVisible

Fields inherited from class toxTree.tree.UserDefinedTree

editable, listener, nodesFactory, options

Fields inherited from class toxTree.tree.AbstractTree

categories, changes, explanation, falseIfRuleNotImplemented, imageSize, logger, modified, name, priority, rules, treeRoot, web

Fields inherited from interface toxTree.core.XMLSerializable

xmltag_CATEGORIES, xmltag_CATEGORY, xmltag_CATEGORYTHRESHOLD, xmltag_CLASS, xmltag_EXPLANATION, xmltag_ID, xmltag_METHOD, xmltag_METHODPARAMETER, xmltag_METHODS, xmltag_NAME, xmltag_RULE, xmltag_RULEEXAMPLE, xmltag_RULES, xmltag_TREEROOT

Constructor Summary

Constructors

Constructor and Description
SicretRules()

Method Summary

Modifier and Type	Method and Description
void	addPropertyChangeListener(PropertyChangeListener l)
StringBuffer	explainRules(IDecisionResult result, boolean verbose)
boolean	getInteractive()
String	getName()
org.openscience.cdk.qsar.DescriptorSpecification	getSpecification()
boolean	isResiduesIDVisible()
void	removePropertyChangeListener(PropertyChangeListener l)
void	setEditable(boolean value)
void	setInteractive(boolean value)
void	setName(String value)
void	setParameters(org.openscience.cdk.interfaces.IAtomContainer mol) Can be used to display some options before applying the rules.
void	setResiduesIDVisible(boolean residuesIDVisible)
String	toString()

Methods inherited from class toxTree.tree.UserDefinedTree

calculate, clone, close, createArrayResult, getBranch, getBranch, getCategory, getCategory, getDescriptorNames, getDescriptorResultType, getID, getListener, getNodesFactory, getOptions, getParameterNames, getParameters, getParameterType, getRule, hasUnreachableRules, hasUnusedCategories, initialise, initRules, isEditable, isEnabled, open, process, removeListener, setArrayValue, setEnabled, setListener, setNodesFactory, setOptions, setParameters, setTransitions, verifyRules, visitCategories, visitRules

Methods inherited from class toxTree.tree.AbstractTree

addDecisionRule, classify, clearChanged, createDecisionResult, equals, fromXML, getCategories, getEditor, getExplanation, getImage, getImage, getImageSize, getLegend, getNumberOfClasses, getNumberOfRules, getPriority, getRule, getRules, getTitle, getTopRule, isFalseIfRuleNotImplemented, isModified, isWeb, optionsPanel, printResults, printToStream, retrieveExplanation, setCategories, setChanged, setDecisionRule, setExplanation, setFalseIfRuleNotImplemented, setImageSize, setModified, setPriority, setRules, setRules, setTitle, setWeb, testRulesWithSelector, toShallowXML, toXML, update, verifyResidues, verifyRules, walkRules, walkRules

Methods inherited from class java.util.Observable

addObserver, countObservers, deleteObserver, deleteObservers, hasChanged, notifyObservers, notifyObservers

Methods inherited from class java.lang.Object

finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Methods inherited from interface toxTree.core.IDecisionInteractive

getListener, getOptions, removeListener, setListener, setOptions

Field Detail

residuesIDVisible

protected boolean residuesIDVisible

interactive

protected boolean interactive

c_rules

public static final transient String[] c_rules

Constructor Detail

SicretRules

public SicretRules()
            throws DecisionMethodException

Throws:

DecisionMethodException

Method Detail

addPropertyChangeListener

public void addPropertyChangeListener(PropertyChangeListener l)

Specified by:

addPropertyChangeListener in interface IDecisionMethod

Overrides:

addPropertyChangeListener in class AbstractTree

removePropertyChangeListener

public void removePropertyChangeListener(PropertyChangeListener l)

Specified by:

removePropertyChangeListener in interface IDecisionMethod

Overrides:

removePropertyChangeListener in class AbstractTree

toString

public String toString()

Overrides:

toString in class UserDefinedTree

getSpecification

public org.openscience.cdk.qsar.DescriptorSpecification getSpecification()

Specified by:

getSpecification in interface org.openscience.cdk.qsar.IDescriptor

Overrides:

getSpecification in class UserDefinedTree

getName

public String getName()

setName

public void setName(String value)

explainRules

public StringBuffer explainRules(IDecisionResult result,
                                 boolean verbose)
                          throws DecisionMethodException

Specified by:

explainRules in interface IDecisionMethod

Overrides:

explainRules in class AbstractTree

Throws:

DecisionMethodException

See Also:

IDecisionMethod.explainRules(IDecisionResult,boolean)

isResiduesIDVisible

public boolean isResiduesIDVisible()

setResiduesIDVisible

public void setResiduesIDVisible(boolean residuesIDVisible)

setEditable

public void setEditable(boolean value)

Specified by:

setEditable in interface IDecisionMethod

Overrides:

setEditable in class UserDefinedTree

setParameters

public void setParameters(org.openscience.cdk.interfaces.IAtomContainer mol)

Description copied from class: AbstractTree

Can be used to display some options before applying the rules.

Specified by:

setParameters in interface IDecisionMethod

Overrides:

setParameters in class UserDefinedTree

getInteractive

public boolean getInteractive()

Specified by:

getInteractive in interface IDecisionInteractive

Overrides:

getInteractive in class UserDefinedTree

setInteractive

public void setInteractive(boolean value)

Specified by:

setInteractive in interface IDecisionInteractive

Overrides:

setInteractive in class UserDefinedTree