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java.lang.Objectjava.util.Observable
toxTree.tree.AbstractRule
toxTree.tree.rules.smarts.AbstractRuleSmartSubstructure<org.openscience.cdk.interfaces.IAtomContainer>
toxTree.tree.rules.smarts.RuleSMARTSSubstructureAmbit
toxTree.tree.rules.smarts.RuleSMARTSubstructure
com.molecularnetworks.start.rules.RuleTwoTerminalDiaminoGroupsOnNonCyclic
public class RuleTwoTerminalDiaminoGroupsOnNonCyclic
Biodegradation rule for chemicals with two terminal diamino groups that are not attached to a cycle.
Field Summary |
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Fields inherited from class toxTree.tree.rules.smarts.AbstractRuleSmartSubstructure |
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containsAllSubstructures, final_and_patch, smartsPatterns |
Fields inherited from class toxTree.tree.AbstractRule |
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changes, editable, ERR_STRUCTURENOTPREPROCESSED, examples, explanation, id, logger, MSG_NO, MSG_YES, no, residueIDHidden, title |
Fields inherited from interface toxTree.core.XMLSerializable |
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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 | |
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RuleTwoTerminalDiaminoGroupsOnNonCyclic()
Default constructor |
Method Summary | |
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boolean |
verifyRule(org.openscience.cdk.interfaces.IAtomContainer mol)
Overrides the default IDecisionRule behaviour. |
Methods inherited from class toxTree.tree.rules.smarts.RuleSMARTSSubstructureAmbit |
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createSmartsPattern, getObjectToVerify |
Methods inherited from class toxTree.tree.rules.smarts.AbstractRuleSmartSubstructure |
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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 |
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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 |
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addObserver, clearChanged, countObservers, deleteObserver, deleteObservers, hasChanged, notifyObservers, notifyObservers, setChanged |
Methods inherited from class java.lang.Object |
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finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait |
Constructor Detail |
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public RuleTwoTerminalDiaminoGroupsOnNonCyclic()
Method Detail |
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public boolean verifyRule(org.openscience.cdk.interfaces.IAtomContainer mol) throws DecisionMethodException
IDecisionRule
behaviour.
Returns TRUE, if the answer of the rule is YES for the analyzed
molecule org.openscience.cdk.interfaces.AtomContainer
Returns FALSE, if the answer of the rule is NO for the analyzed
molecule org.openscience.cdk.interfaces.AtomContainer
verifyRule
in interface IDecisionRule
verifyRule
in class AbstractRuleSmartSubstructure<org.openscience.cdk.interfaces.IAtomContainer>
mol
- org.openscience.cdk.interfaces.AtomContainer
{@link
- DecisionMethodException}
DecisionMethodException
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