sicret.rules

Class RuleLogP

java.lang.Object

java.util.Observable

toxTree.tree.AbstractRule

toxTree.tree.rules.RuleVerifyProperty

sicret.rules.RuleLogP

All Implemented Interfaces:

Serializable, Cloneable, IDecisionInteractive, IDecisionRule, IImplementationDetails, XMLSerializable

Direct Known Subclasses:

Rule11, Rule16, Rule17, Rule28, RuleLogP, RuleLogP_10_1, RuleLogP_11_4, RuleLogP_11_5, RuleLogP_11_6, RuleLogP_12_4, RuleLogP_9_4, RuleLogP1

public class RuleLogP
extends RuleVerifyProperty

LogP < 3.1.
Expects property to be read from IMolecule.getProperty(LogKow). If it is null, calculates LogP by XLogPDescriptor.

Author:

Nina Jeliazkova nina@acad.bg, Martin Martinov Modified Dec 17, 2006

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	LogKow

Fields inherited from class toxTree.tree.rules.RuleVerifyProperty

condition, condition_equals, condition_higher, condition_lower, listener, nf, options, propertyExamples, propertyName, propertyStaticValue, propertyUnits

Fields inherited from class toxTree.tree.AbstractRule

changes, editable, ERR_STRUCTURENOTPREPROCESSED, examples, explanation, id, logger, MSG_NO, MSG_YES, no, residueIDHidden, title

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
RuleLogP()
RuleLogP(String propertyName, String units, String condition, double value)

Method Summary

Modifier and Type	Method and Description
String	getImplementationDetails()
String	inputProperty(org.openscience.cdk.interfaces.IAtomContainer mol)

Methods inherited from class toxTree.tree.rules.RuleVerifyProperty

compare, getCaption, getCondition, getExampleMolecule, getExplanation, getInteractive, getListener, getOptions, getProperty, getPropertyName, getPropertyUnits, getSelector, isImplemented, removeListener, setCondition, setInteractive, setListener, setOptions, setProperty, setPropertyName, setPropertyUnits, verifyRule

Methods inherited from class toxTree.tree.AbstractRule

addPropertyChangeListener, clearFlags, clone, createRule, equals, fromXML, getEditor, getExamples, getID, getNum, getTitle, hideResiduesID, isEditable, isResidueIDHidden, log, log, log, makeMolecule, removePropertyChangeListener, setEditable, setExampleMolecule, setExamples, setExplanation, setID, setNum, setTitle, toShallowXML, toString, toXML

Methods inherited from class java.util.Observable

addObserver, clearChanged, countObservers, deleteObserver, deleteObservers, hasChanged, notifyObservers, notifyObservers, setChanged

Methods inherited from class java.lang.Object

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

Field Detail

LogKow

public static String LogKow

Constructor Detail

RuleLogP

public RuleLogP()

RuleLogP

public RuleLogP(String propertyName,
                String units,
                String condition,
                double value)

Method Detail

inputProperty

public String inputProperty(org.openscience.cdk.interfaces.IAtomContainer mol)
                     throws DecisionMethodException

Overrides:

inputProperty in class RuleVerifyProperty

Throws:

DecisionMethodException

getImplementationDetails

public String getImplementationDetails()

Specified by:

getImplementationDetails in interface IImplementationDetails

Overrides:

getImplementationDetails in class RuleVerifyProperty