toxtree.plugins.smartcyp.rules
Class MetaboliteGenerator
java.lang.Object
java.util.Observable
toxTree.tree.AbstractRule
toxtree.plugins.smartcyp.rules.MetaboliteGenerator
- All Implemented Interfaces:
- ambit2.smarts.IAcceptable, java.io.Serializable, java.lang.Cloneable, IDecisionRule, IMetaboliteGenerator, XMLSerializable
- Direct Known Subclasses:
- SMARTCYPRuleRank1
public abstract class MetaboliteGenerator
- extends AbstractRule
- implements IMetaboliteGenerator, ambit2.smarts.IAcceptable
- See Also:
- Serialized Form
Field Summary |
protected java.util.ResourceBundle |
bundle
|
protected int |
rank
|
protected ambit2.smarts.SMIRKSManager |
smrkMan
|
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 |
boolean |
accept(java.util.Vector<org.openscience.cdk.interfaces.IAtom> atoms)
|
java.lang.String |
getHelp(RuleResult ruleresult)
|
org.openscience.cdk.interfaces.IAtomContainerSet |
getProducts(org.openscience.cdk.interfaces.IAtomContainer reactant,
RuleResult ruleResult)
|
int |
getRank()
|
void |
setRank(int rank)
|
Methods inherited from class toxTree.tree.AbstractRule |
addPropertyChangeListener, clearFlags, clone, createRule, equals, fromXML, getEditor, getExampleMolecule, getExamples, getExplanation, getID, getNum, getSelector, getTitle, hideResiduesID, isEditable, isImplemented, 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 |
smrkMan
protected transient ambit2.smarts.SMIRKSManager smrkMan
rank
protected int rank
bundle
protected transient java.util.ResourceBundle bundle
MetaboliteGenerator
public MetaboliteGenerator()
getRank
public int getRank()
setRank
public void setRank(int rank)
getProducts
public org.openscience.cdk.interfaces.IAtomContainerSet getProducts(org.openscience.cdk.interfaces.IAtomContainer reactant,
RuleResult ruleResult)
throws java.lang.Exception
- Specified by:
getProducts
in interface IMetaboliteGenerator
- Throws:
java.lang.Exception
accept
public boolean accept(java.util.Vector<org.openscience.cdk.interfaces.IAtom> atoms)
- Specified by:
accept
in interface ambit2.smarts.IAcceptable
getHelp
public java.lang.String getHelp(RuleResult ruleresult)
- Specified by:
getHelp
in interface IMetaboliteGenerator
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