toxTree.tree.cramer
Class RuleAcyclicAcetalEsterOfQ30

java.lang.Object
  extended by java.util.Observable
      extended by toxTree.tree.AbstractRule
          extended by toxTree.tree.AbstractRuleHilightHits
              extended by toxTree.tree.rules.RuleSubstructures
                  extended by toxTree.tree.rules.RuleRings
                      extended by toxTree.tree.rules.RuleRingSubstituents
                          extended by toxTree.tree.rules.RuleRingOtherThanAllowedSubstituents
                              extended by toxTree.tree.cramer.RuleRingComplexSubstituents30
                                  extended by toxTree.tree.cramer.RuleAcyclicAcetalEsterOfQ30
All Implemented Interfaces:
java.io.Serializable, java.lang.Cloneable, IDecisionRule, IRuleSubstructures, XMLSerializable

public class RuleAcyclicAcetalEsterOfQ30
extends RuleRingComplexSubstituents30

Rule 31 of the Cramer scheme (see CramerRules)

Version:
0.1, 2005-5-3
Author:
Nina Jeliazkova
See Also:
Serialized Form

Field Summary
protected  org.openscience.cdk.isomorphism.matchers.QueryAtomContainer acetal
           
protected  org.openscience.cdk.isomorphism.matchers.QueryAtomContainer ester
           
 
Fields inherited from class toxTree.tree.rules.RuleRingSubstituents
analyzeOnlyRingsWithFlagSet, CONDITION_FAILED, CYCLIC_SUBSTITUENT, ERR_PRECONDITION_FAILED, flags, LONGCHAIN_SUBSTITUENT
 
Fields inherited from class toxTree.tree.rules.RuleSubstructures
ids, MSG_HASGROUP, query
 
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
RuleAcyclicAcetalEsterOfQ30()
          Constructor
 
Method Summary
 boolean verifyRule(org.openscience.cdk.interfaces.IAtomContainer mol)
          return true if other than listed substructures are found in a ring substituent
 boolean verifyRule(org.openscience.cdk.interfaces.IAtomContainer mol, org.openscience.cdk.interfaces.IAtomContainer selected)
           
 
Methods inherited from class toxTree.tree.cramer.RuleRingComplexSubstituents30
substituentIsAllowed
 
Methods inherited from class toxTree.tree.rules.RuleRingOtherThanAllowedSubstituents
isImplemented
 
Methods inherited from class toxTree.tree.rules.RuleRingSubstituents
allowedSubstituents, analyze, analyzeOnlyRingsWithFlagSet, clearFlags, setAnalyzeAromatic, setAnalyzeHeterocyclic, setAnalyzeOnlyRingsWithFlagSet
 
Methods inherited from class toxTree.tree.rules.RuleRings
hasRingsToProcess
 
Methods inherited from class toxTree.tree.rules.RuleSubstructures
addSubstructure, clearSubstructures, equals, getIds, getQuery, getSubstructure, getSubstructures, getSubstructuresCount, removeSubstructure, setIds, setQuery, setSubstructure
 
Methods inherited from class toxTree.tree.AbstractRuleHilightHits
getSelector
 
Methods inherited from class toxTree.tree.AbstractRule
addPropertyChangeListener, clearFlags, clone, createRule, fromXML, getEditor, getExampleMolecule, getExamples, getExplanation, 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
 
Methods inherited from interface toxTree.core.IDecisionRule
addPropertyChangeListener, clearFlags, clone, getEditor, getExampleMolecule, getExplanation, getID, getNum, getSelector, getTitle, hideResiduesID, isEditable, isResidueIDHidden, removePropertyChangeListener, setEditable, setExampleMolecule, setExplanation, setID, setNum, setTitle, toString
 

Field Detail

acetal

protected org.openscience.cdk.isomorphism.matchers.QueryAtomContainer acetal

ester

protected org.openscience.cdk.isomorphism.matchers.QueryAtomContainer ester
Constructor Detail

RuleAcyclicAcetalEsterOfQ30

public RuleAcyclicAcetalEsterOfQ30()
Constructor

Method Detail

verifyRule

public boolean verifyRule(org.openscience.cdk.interfaces.IAtomContainer mol)
                   throws DecisionMethodException
Description copied from class: RuleRingOtherThanAllowedSubstituents
return true if other than listed substructures are found in a ring substituent

Specified by:
verifyRule in interface IDecisionRule
Overrides:
verifyRule in class RuleRingComplexSubstituents30
Parameters:
mol - org.openscience.cdk.interfaces.AtomContainer
Returns:
rule result, boolean
Throws:
DecisionMethodException
See Also:
IDecisionRule.verifyRule(IAtomContainer)

verifyRule

public boolean verifyRule(org.openscience.cdk.interfaces.IAtomContainer mol,
                          org.openscience.cdk.interfaces.IAtomContainer selected)
                   throws DecisionMethodException
Overrides:
verifyRule in class RuleRingComplexSubstituents30
Throws:
DecisionMethodException


Copyright © 2004-2012 Ideaconsult Ltd.. All Rights Reserved.