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, java.io.Serializable, java.lang.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 |
protected java.lang.String[][] |
smarts
|
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 |
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 |
smarts
protected java.lang.String[][] smarts
Rule38
public Rule38()
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
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