mic.rules
Class SA2
java.lang.Object
java.util.Observable
toxTree.tree.AbstractRule
toxTree.tree.rules.smarts.AbstractRuleSmartSubstructure<org.openscience.cdk.interfaces.IAtomContainer>
toxTree.tree.rules.smarts.RuleSMARTSubstructureCDK
toxTree.tree.rules.StructureAlertCDK
mic.rules.SA2
- All Implemented Interfaces:
- ambit2.smarts.query.ISmartsPatternFactory, java.io.Serializable, java.lang.Cloneable, IDecisionRule, IImplementationDetails, XMLSerializable, IAlertCounter, IRuleSMARTSubstructures
public class SA2
- extends StructureAlertCDK
SA2
- Author:
- nina
- See Also:
- Serialized Form
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 |
SA2()
Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid. |
Method Summary |
protected boolean |
isAPossibleHit(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IAtomContainer processedObject)
Simple prescreening |
Methods inherited from class toxTree.tree.rules.smarts.AbstractRuleSmartSubstructure |
addSubstructure, addSubstructure, addSubstructure, clearSubstructures, containsAllSubstructures, deleteSubstructure, equals, getSelector, getSmartsPatterns, getSubstructure, initSingleSMARTS, 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 |
SA2_sulphonic
public static java.lang.String SA2_sulphonic
SA2_phosphonic
public static java.lang.String SA2_phosphonic
prescreenSulphonic
protected ambit2.smarts.query.ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer> prescreenSulphonic
prescreenPhosphonic
protected ambit2.smarts.query.ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer> prescreenPhosphonic
substituents
public static java.lang.String[][] substituents
SA2
public SA2()
- Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid.
isAPossibleHit
protected boolean isAPossibleHit(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IAtomContainer processedObject)
throws DecisionMethodException
- Simple prescreening
- Overrides:
isAPossibleHit
in class AbstractRuleSmartSubstructure<org.openscience.cdk.interfaces.IAtomContainer>
- Returns:
- true if possibly a hit
- Throws:
DecisionMethodException
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