public class RuleQ3 extends RuleSMARTSSubstructureAmbit implements IRuleSMARTS
RuleToxicFunctionalGroups
with additions and changes| Modifier and Type | Field and Description |
|---|---|
protected ambit2.smarts.query.ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer> |
nheterocycle |
containsAllSubstructures, final_and_patch, smartsPatternschanges, editable, ERR_STRUCTURENOTPREPROCESSED, examples, explanation, id, logger, MSG_NO, MSG_YES, no, residueIDHidden, titlexmltag_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 and Description |
|---|
RuleQ3() |
| Modifier and Type | Method and Description |
|---|---|
String[][] |
getSMARTS() |
boolean |
verifyRule(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IAtomContainer selected) |
createSmartsPattern, getObjectToVerify, hasRingsToProcessaddSubstructure, addSubstructure, addSubstructure, clearSubstructures, containsAllSubstructures, deleteSubstructure, equals, getImplementationDetails, getSelector, getSmartsPatterns, getSubstructure, initSingleSMARTS, isAPossibleHit, isImplemented, removeSingleSMARTS, setContainsAllSubstructures, setSmartsPatterns, setSubstructure, setSubstructure, verifyRuleaddPropertyChangeListener, 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, toXMLaddObserver, clearChanged, countObservers, deleteObserver, deleteObservers, hasChanged, notifyObservers, notifyObservers, setChangedprotected ambit2.smarts.query.ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer> nheterocycle
public RuleQ3()
throws ambit2.smarts.query.SMARTSException
ambit2.smarts.query.SMARTSExceptionpublic boolean verifyRule(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IAtomContainer selected)
throws DecisionMethodException
verifyRule in class AbstractRuleSmartSubstructure<org.openscience.cdk.interfaces.IAtomContainer>DecisionMethodExceptionpublic String[][] getSMARTS()
getSMARTS in interface IRuleSMARTSCopyright © 2004–2018 Ideaconsult Ltd. All rights reserved.