toxTree.core
Interface IRuleSubstructures

All Superinterfaces:
java.lang.Cloneable, IDecisionRule, java.io.Serializable
All Known Implementing Classes:
Rule142, Rule143, Rule144, Rule161, Rule21, Rule22, Rule23, Rule25, Rule32, RuleAcidAnhydrides, RuleAcrylicAcids, RuleAcyclicAcetalEsterOfQ30, RuleAliphaticWithSomeFuncGroups, RuleAllSubstructures, RuleAnySubstructure, RuleAnySubstructureCounter, RuleAromaticAmines, RuleC10_C20AliphaticAlcohols, RuleCarbamoylHalide, RuleCarbohydrate, RuleCatecholsResorcinolsHydroquinones, RuleCyclopropaneEtc, RuleDi_Tri_Nitrobenzenes, RuleHalonitrobenzene, RuleHasOnlySaltSulphonateSulphate, RuleHasOnlySaltSulphonateSulphate, RuleHeterocyclicComplexSubstituents, RuleIonicGroups, RuleKroesFig1Q1, RuleLactoneOrCyclicDiester, RuleLactonesFusedOrUnsaturated, RuleLactonesFusedOrUnsaturated, RuleMonocarbocyclic, RuleMonocycloalkanoneEtc, RuleOandPQuinones, RuleOnlyAllowedSubstructures, RuleOnlyAllowedSubstructuresCounter, RuleOnlyFuncGroupsQ30, RuleQuaternaryOrganicAmmoniumAndPhosphoniumSalts, RuleRingAllowedSubstituents, RuleRingComplexSubstituents30, RuleRingMainStrucSubstituents, RuleRingOtherThanAllowedSubstituents, RuleRings, RuleRingSubstituents, RuleSimplyBranchedAliphaticHydrocarbon, RuleSomeBenzeneDerivatives, RuleSubstructures, RuleTriAndTetraHalogenatedBenzenes, SA20_nogen, SA26

public interface IRuleSubstructures
extends IDecisionRule

An interface to support substructure rules

Author:
Nina Jeliazkova nina@acad.bg Modified 2005-10-18

Method Summary
 void addSubstructure(org.openscience.cdk.interfaces.IAtomContainer fragment)
          Adds a substructure AtomContainer to the rule
 void clearSubstructures()
          removes all substructures defined for a rule
 org.openscience.cdk.interfaces.IAtomContainer getSubstructure(int index)
          Returns a substructure AtomContainer at a given rules
 java.util.List getSubstructures()
          Returns a list ArrayList of AtomContainer defined for the rule
 int getSubstructuresCount()
           
 org.openscience.cdk.interfaces.IAtomContainer removeSubstructure(int index)
          Removes substructure at a given index
 void setSubstructure(int index, org.openscience.cdk.interfaces.IAtomContainer atomContainer)
          sets substructure at index
 
Methods inherited from interface toxTree.core.IDecisionRule
addPropertyChangeListener, clearFlags, clone, getEditor, getExampleMolecule, getExplanation, getID, getNum, getSelector, getTitle, hideResiduesID, isEditable, isImplemented, isResidueIDHidden, removePropertyChangeListener, setEditable, setExampleMolecule, setExplanation, setID, setNum, setTitle, toString, verifyRule
 

Method Detail

addSubstructure

void addSubstructure(org.openscience.cdk.interfaces.IAtomContainer fragment)
Adds a substructure AtomContainer to the rule

Parameters:
fragment -

getSubstructure

org.openscience.cdk.interfaces.IAtomContainer getSubstructure(int index)
Returns a substructure AtomContainer at a given rules

Parameters:
index -
Returns:
molecule AtomContainer

setSubstructure

void setSubstructure(int index,
                     org.openscience.cdk.interfaces.IAtomContainer atomContainer)
sets substructure at index

Parameters:
index -
atomContainer -

clearSubstructures

void clearSubstructures()
removes all substructures defined for a rule


getSubstructuresCount

int getSubstructuresCount()
Returns:
the number of substructures defined for the rule

removeSubstructure

org.openscience.cdk.interfaces.IAtomContainer removeSubstructure(int index)
Removes substructure at a given index

Parameters:
index -
Returns:
AtomContainer

getSubstructures

java.util.List getSubstructures()
Returns a list ArrayList of AtomContainer defined for the rule

Returns:
list List


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