mutant.rules
Class RuleDerivedAromaticAmines
java.lang.Object
java.util.Observable
toxTree.tree.AbstractRule
toxTree.tree.rules.smarts.AbstractRuleSmartSubstructure<org.openscience.cdk.interfaces.IAtomContainer>
toxTree.tree.rules.smarts.RuleSMARTSubstructureCDK
mutant.rules.RuleDerivedAromaticAmines
- All Implemented Interfaces:
- ambit2.smarts.query.ISmartsPatternFactory, java.io.Serializable, java.lang.Cloneable, IDecisionRule, IImplementationDetails, XMLSerializable, IRuleSMARTSubstructures
public class RuleDerivedAromaticAmines
- extends RuleSMARTSubstructureCDK
- See Also:
- Serialized Form
Field Summary |
protected org.openscience.cdk.isomorphism.matchers.QueryAtomContainer[] |
groups
|
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 |
Method Summary |
protected void |
deriveAmine(org.openscience.cdk.isomorphism.matchers.QueryAtomContainer q,
org.openscience.cdk.interfaces.IMoleculeSet origin,
org.openscience.cdk.interfaces.IMoleculeSet results)
|
org.openscience.cdk.interfaces.IMoleculeSet |
detachSubstituent(org.openscience.cdk.isomorphism.matchers.QueryAtomContainer q,
org.openscience.cdk.interfaces.IAtomContainer c)
|
static org.openscience.cdk.isomorphism.matchers.QueryAtomContainer |
group1()
|
static org.openscience.cdk.isomorphism.matchers.QueryAtomContainer |
group2()
|
boolean |
verifyRule(org.openscience.cdk.interfaces.IAtomContainer mol)
This is the core of a IDecisionRule behaviour. |
Methods inherited from class toxTree.tree.rules.smarts.AbstractRuleSmartSubstructure |
addSubstructure, addSubstructure, addSubstructure, clearSubstructures, containsAllSubstructures, deleteSubstructure, equals, getImplementationDetails, getSelector, getSmartsPatterns, getSubstructure, initSingleSMARTS, isAPossibleHit, isImplemented, removeSingleSMARTS, setContainsAllSubstructures, setSmartsPatterns, setSubstructure, setSubstructure, 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 |
groups
protected org.openscience.cdk.isomorphism.matchers.QueryAtomContainer[] groups
RuleDerivedAromaticAmines
public RuleDerivedAromaticAmines()
verifyRule
public boolean verifyRule(org.openscience.cdk.interfaces.IAtomContainer mol)
throws DecisionMethodException
- Description copied from interface:
IDecisionRule
- This is the core of a
IDecisionRule
behaviour. The method returns true
if the answer of the rule is YES for the analyzed molecule org.openscience.cdk.interfaces.AtomContainer
and FALSE
if the answer of the rule is NO for the analyzed molecule org.openscience.cdk.interfaces.AtomContainer
??
- Specified by:
verifyRule
in interface IDecisionRule
- Overrides:
verifyRule
in class RuleSMARTSubstructureCDK
- Parameters:
mol
- org.openscience.cdk.interfaces.AtomContainer
- Returns:
- rule result, boolean
- Throws:
DecisionMethodException
deriveAmine
protected void deriveAmine(org.openscience.cdk.isomorphism.matchers.QueryAtomContainer q,
org.openscience.cdk.interfaces.IMoleculeSet origin,
org.openscience.cdk.interfaces.IMoleculeSet results)
group1
public static org.openscience.cdk.isomorphism.matchers.QueryAtomContainer group1()
group2
public static org.openscience.cdk.isomorphism.matchers.QueryAtomContainer group2()
detachSubstituent
public org.openscience.cdk.interfaces.IMoleculeSet detachSubstituent(org.openscience.cdk.isomorphism.matchers.QueryAtomContainer q,
org.openscience.cdk.interfaces.IAtomContainer c)
Copyright © 2004-2012 Ideaconsult Ltd.. All Rights Reserved.