toxTree.core

Interface IRuleSubstructures

All Superinterfaces:

Cloneable, IDecisionRule, 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

Modifier and Type	Method and Description
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
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

List getSubstructures()

Returns a list ArrayList of AtomContainer defined for the rule

Returns:

list List