mutant.rules
Class SA28_gen
java.lang.Object
java.util.Observable
toxTree.tree.AbstractRule
toxTree.tree.rules.smarts.AbstractRuleSmartSubstructure<org.openscience.cdk.interfaces.IAtomContainer>
toxTree.tree.rules.smarts.RuleSMARTSSubstructureAmbit
toxTree.tree.rules.StructureAlertAmbit
mutant.rules.SA28_gen
- All Implemented Interfaces:
- ambit2.smarts.query.ISmartsPatternFactory, java.io.Serializable, java.lang.Cloneable, IDecisionRule, IImplementationDetails, XMLSerializable, IAlertCounter, IRuleSMARTSubstructures
public class SA28_gen
- extends StructureAlertAmbit
[a;!$(a(a[A;!#1])(a[A;!#1]));!$(aa[CX3](=O)[OX2H1]);!$(aa[SX4](=[OX1])(=[OX1])([O-]));!$(aaa[SX4](=[OX1])(=[OX1])([O-]));!$(aaaa[SX4](=[OX1])(=[OX1])([O-]));!$(aaaaa[SX4](=[OX1])(=[OX1])([O-]));!$(aaaaaa[SX4](=[OX1])(=[OX1])([O-]));!$(aN(CC[Cl,Br,F,I])(CC[Cl,Br,F,I]));!$(aaN(CC[Cl,Br,F,I])(CC[Cl,Br,F,I]));!$(aaaN(CC[Cl,Br,F,I])(CC[Cl,Br,F,I]));!$(aaaaN(CC[Cl,Br,F,I])(CC[Cl,Br,F,I]));!$(aaaaaN(CC[Cl,Br,F,I])(CC[Cl,Br,F,I]))]!@[$([NX3;v3]([#1,CX4,CX3])([#1,CX4,CX3])),$([NX3;v3]([OX2H])([#1,CX4,CX3])),$([NX3;v3]([#1,CX4])OC=O)]
- 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 |
Method Summary |
protected boolean |
isAPossibleHit(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IAtomContainer processedObject)
Returns true always. |
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 |
SA28_title
public static java.lang.String SA28_title
amine_and_SO3H
public static java.lang.String amine_and_SO3H
index_ortho_disubstitution
public static int index_ortho_disubstitution
index_ortho_carboxylicacid
public static int index_ortho_carboxylicacid
index_so3h_1
public static int index_so3h_1
index_so3h_2
public static int index_so3h_2
index_so3h_3
public static int index_so3h_3
index_so3h_4
public static int index_so3h_4
amines
public static java.lang.String[][] amines
exclusion_rules
public static java.lang.Object[][] exclusion_rules
SA28_gen
public SA28_gen()
throws ambit2.smarts.query.SMARTSException
- Throws:
ambit2.smarts.query.SMARTSException
isAPossibleHit
protected boolean isAPossibleHit(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IAtomContainer processedObject)
throws DecisionMethodException
- Description copied from class:
AbstractRuleSmartSubstructure
- Returns true always. Override to apply simple prescreening for the rule;
- Overrides:
isAPossibleHit
in class AbstractRuleSmartSubstructure<org.openscience.cdk.interfaces.IAtomContainer>
- Returns:
-
- Throws:
DecisionMethodException
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