verhaar.rules

Class Rule38

java.lang.Object

java.util.Observable

toxTree.tree.AbstractRule

toxTree.tree.rules.smarts.AbstractRuleSmartSubstructure<org.openscience.cdk.interfaces.IAtomContainer>

toxTree.tree.rules.smarts.RuleSMARTSSubstructureAmbit

verhaar.rules.Rule38

All Implemented Interfaces:

ambit2.smarts.query.ISmartsPatternFactory, Serializable, Cloneable, IDecisionRule, IImplementationDetails, XMLSerializable, IRuleSMARTSubstructures

public class Rule38
extends RuleSMARTSSubstructureAmbit

Contain one of the following structural entities:

          {"acid anhydrides","[*]C(=O)OC(=O)[*]"},
            {"lactones",""},
            {"acid halides","[*]C(=O)Cl"},
            {"carbamohalides","[*]NC(=O)Cl"},
            {"ketenes","[*]C=C=O"},
            {"aldehydes","[*]C(=O)[H]"},
            {"isocyanates","[*]N=C=O"},
            {"thiocyanates","[*]SC#N"},
            {"isothiocyanates","[*]N=C=S"},
            {"disulphides","[*]SS[*]"},
            {"sulphonic esters","[*]S(=O)(=O)O[*]"},
            {"sulphiric esters","[H]OS(=O)(=O)O[*]"},
            {"cyclic sulphonic esters",""},
            {"cyclic sulphuric esters",""},
            {"alpha haloethers","[*]OC(Cl)[*]"},
            {"alpha haloethers","[*]OC(F)[*]"},
            {"alpha haloethers","[*]OC(Br)[*]"},
            {"alpha haloethers","[*]OC(I)[*]"},
            {"beta haloethers","[*]OCC(Cl)[*]"},
            {"beta haloethers","[*]OCC(Br)[*]"},
            {"beta haloethers","[*]OCC(F)[*]"},
            {"beta haloethers","[*]OCC(I)[*]"},
            {"nitrogen mustards","[*]NCC(Cl)[*]"},
            {"nitrogen mustards","[*]NCC(F)[*]"},
            {"nitrogen mustards","[*]NCC(Br)[*]"},
            {"nitrogen mustards","[*]NCC(I)[*]"},
            {"sulphur mustards","[*]SCC(Cl)[*]"},
            {"sulphur mustards","[*]SCC(F)[*]"},
            {"sulphur mustards","[*]SCC(Br)[*]"},
            {"sulphur mustards","[*]SCC(I)[*]"}

 

Author:

Nina Jeliazkova jeliazkova.nina@gmail.com Modified July 12, 2011

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
protected String[][]	smarts

Fields inherited from class toxTree.tree.rules.smarts.AbstractRuleSmartSubstructure

containsAllSubstructures, final_and_patch, smartsPatterns

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
Rule38()

Method Summary

Modifier and Type	Method and Description
boolean	isImplemented()

Methods inherited from class toxTree.tree.rules.smarts.RuleSMARTSSubstructureAmbit

createSmartsPattern, getObjectToVerify, hasRingsToProcess

Methods inherited from class toxTree.tree.rules.smarts.AbstractRuleSmartSubstructure

addSubstructure, addSubstructure, addSubstructure, clearSubstructures, containsAllSubstructures, deleteSubstructure, equals, getImplementationDetails, getSelector, getSmartsPatterns, getSubstructure, initSingleSMARTS, isAPossibleHit, removeSingleSMARTS, setContainsAllSubstructures, setSmartsPatterns, setSubstructure, setSubstructure, verifyRule, verifyRule

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

Field Detail

smarts

protected String[][] smarts

Constructor Detail

Rule38

public Rule38()

Method Detail

isImplemented

public boolean isImplemented()

Specified by:

isImplemented in interface IDecisionRule

Overrides:

isImplemented in class AbstractRuleSmartSubstructure<org.openscience.cdk.interfaces.IAtomContainer>

Returns:

false if the rule is not implemented and true if it is