toxTree.tree.rules.smarts
Interface IRuleSMARTSubstructures

All Superinterfaces:
IImplementationDetails
All Known Implementing Classes:
AbstractRuleSmartSubstructure, AcylTransferRule, AcylTransferRule, AcylTransferRule, DNABindingRule, FG, FG1, FG10, FG11, FG12, FG13, FG14, FG15, FG16, FG17, FG18, FG19, FG2, FG20, FG21, FG22, FG23_1, FG23_2, FG23_3, FG23_4, FG23_5, FG23_6, FG23_7, FG23_8, FG23_LS, FG24_1, FG24_2, FG24_3, FG24_LS, FG25, FG26, FG27, FG28, FG29, FG3_1, FG3_2, FG3_LS, FG30, FG31_1, FG31_2, FG31_3, FG31_4, FG31_5, FG31_6, FG31_7, FG31_8, FG31_9, FG31_LS, FG32, FG33_1, FG33_2, FG33_3, FG33_4, FG33_5, FG33_6, FG33_7, FG33_8, FG33_LS, FG34_1, FG34_2, FG34_LS, FG35_1, FG35_10, FG35_11, FG35_12, FG35_13, FG35_2, FG35_3, FG35_4, FG35_5, FG35_6, FG35_7, FG35_8, FG35_9, FG35_LS, FG36, FG37_1, FG37_2, FG37_3, FG37_4, FG37_LS, FG38, FG39, FG4, FG4_1, FG4_2, FG4_LS, FG40, FG41_1, FG41_2, FG41_3, FG41_4, FG41_5, FG41_LS, FG42, FG43, FG44, FG45, FG46_1, FG46_2, FG46_LS, FG47, FG48_1, FG48_2, FG48_LS, FG49, FG5, FG50_1, FG50_2, FG50_3, FG50_LS, FG51_1, FG51_2, FG51_3, FG51_LS, FG52_1, FG52_2, FG52_3, FG52_LS, FG53_1, FG53_2, FG53_3, FG53_LS, FG54, FG55, FG56, FG57, FG58, FG59, FG6, FG60, FG61, FG62, FG63, FG64, FG65, FG66, FG67, FG68, FG69, FG7, FG70, FG71, FG72, FG73, FG74_1, FG74_2, FG74_3, FG74_4, FG74_5, FG74_6, FG74_7, FG74_LS, FG75_1, FG75_2, FG75_3, FG75_4, FG75_LS, FG76, FG77, FG78_1, FG78_2, FG78_3, FG78_4, FG78_LS, FG79_1, FG79_2, FG79_3, FG79_4, FG79_LS, FG8, FG80_1, FG80_2, FG80_LS, FG81_1, FG81_2, FG81_3, FG81_4, FG81_LS, FG82_1, FG82_2, FG82_3, FG82_4, FG82_LS, FG83_1, FG83_2, FG83_3, FG83_4, FG83_LS, FG84_1, FG84_2, FG84_LS, FG85, FG86, FG87, FG88, FG89, FG9, FG90, KroesRule3, KroesRule6, MichaelAcceptorRule, MichaelAcceptorRule, MichaelAcceptorRule, PB29, PB30, ProteinBindingRule, QSAR6Applicable, Rule1, Rule10A, Rule10B, Rule11, Rule12A, Rule12B, Rule13A, Rule13B, Rule14, Rule14Aliphatic_glycerol_monoethers, Rule15, Rule151, Rule152, Rule153, Rule154, Rule16, Rule17, Rule171, Rule18, Rule19, Rule2, Rule20, Rule21, Rule22, Rule23, Rule24, Rule24, Rule25, Rule26, Rule27, Rule28, Rule29, Rule3, Rule31, Rule31, Rule32, Rule32, Rule33, Rule33, Rule34, Rule34, Rule35, Rule35, Rule36, Rule36, Rule37, Rule37, Rule38, Rule39, Rule4, Rule4A, Rule4B, Rule5, Rule6, Rule7, Rule8, Rule9A, Rule9B, RuleA_Lactams, RuleABUnsaturatedAldehyde, RuleAcidImides, RuleAcrylicAndMethacrylicEsters, RuleAlcohol, RuleAlcohols, RuleAldehyde, RuleAldehyde, RuleAldehydes, RuleAlertsNarcosis1_1_1, RuleAlertsNarcosis1_1_1_1, RuleAlertsNarcosis1_1_2, RuleAlertsNarcosis1_1_2_1, RuleAlertsNarcosis1_1_2_3, RuleAliphaticCyclicNoBranches, RuleAliphaticEther, RuleAliphaticFusedRingsNonBranched, RuleAliphaticSaturatedAcidsAndHalogenatedAcids, RuleAlkylAldehyde, RuleAlkylAlkanolAmines, RuleAlkylHydrazine, RuleAlkylPhosphonate, RuleAlphaAlkynes, RuleAlphaHalogenatedAmidesAndThioamides, RuleAlyphaticSulphonicAcids, RuleAmine, RuleAminoAcids, RuleAromatic, RuleAromaticAldehyde, RuleAromaticAmineNoSulfonicGroup, RuleAromaticAzo, RuleAromaticDiazo, RuleAromaticHalogen, RuleAromaticNGroups, RuleAromaticNitro, RuleAromaticSulphonicAcid, RuleArylMethylHalide, RuleAziridine, RuleAzo, RuleAzoGroup, RuleBenzene, RuleBenzeneAnalogues, RuleBenzylHalides, RuleBetaLactones, RuleCyanoGroupOnMoreThanEightAtomsChain, RuleDerivedAromaticAmines, RuleDivalentSulphur, RuleEpoxide, RuleEpoxide, RuleEpoxides, RuleEsters, RuleEther, RuleEthyleneGlycolEthers, RuleFormaldehyde, RuleFreeABUnsaturatedHetero, RuleFuran, RuleHalide, RuleHalogenatedAlkanesAndAlkenes, RuleHalogenSubstitutedBranched, RuleHeteroaromatic, RuleHeterocycle, RuleHydrazine, RuleHydroPeroxides, RuleIminomethyl, RuleIsAromatic, RuleKetenes, RuleKetone, RuleKetone, RuleKetones, RuleMoreThanTwoHydroxyOnAromaticRing, RuleNChloramine, RuleNHydroxy, RuleNitrile, RuleNitro, RuleNitrogenMustard, RuleNitrosamine, RuleNitroso, RuleNMethylol, RuleNNitroso, RuleNOxide, RuleNucleosides, RuleOneHalogenOnUnbranched, RulePhenols, RulePhosphateEsters, RulePhosphoricGroups, RuleprimaryAlkylHalide, RulePropiolactone, RulePyridineRing, RuleSMARTSSubstructureAmbit, RuleSMARTSubstructure, RuleSMARTSubstructureCDK, RuleTerminalIsopropylNonCyclic, RuleTerminalTertButyl, RuleTertiaryAmine, RuleTriazineRing, RuleTrifluoromethyl, RuleTwoHalogensOnUnbranchedNonCyclic, RuleTwoTerminalDiaminoGroupsOnNonCyclic, RuleTwoTerminalDoubleBondsOnUnbranched, RuleUnchargedOrganophosphates, RuleUrethaneDerivatives, SA1, SA1_gen, SA10, SA10_gen, SA11, SA11_gen, SA12, SA12_gen, SA13, SA13_gen, SA14, SA14_gen, SA15, SA15_gen, SA16, SA16_gen, SA17_nogen, SA18, SA18_gen, SA19, SA19_gen, SA2, SA2_gen, SA21, SA21_gen, SA22, SA22_gen, SA23, SA23_gen, SA24, SA24_gen, SA25, SA25_gen, SA26_gen, SA27, SA27_gen, SA28, SA28_gen, SA28bis, SA28bis_gen, SA28ter, SA28ter_gen, SA29, SA29_gen, SA3, SA3_gen, SA30, SA30_gen, SA31a_nogen, SA31b_nogen, SA31c_nogen, SA32, SA33, SA34, SA35, SA36, SA37_gen, SA38_gen, SA39_gen_and_nogen, SA4, SA4_gen, SA40_nogen, SA41_nogen, SA42_nogen, SA43_nogen, SA44_nogen, SA45_nogen, SA46_nogen, SA47_nogen, SA48_nogen, SA49_nogen, SA5, SA5_gen, SA50_nogen, SA51_nogen, SA52_nogen, SA53_nogen, SA54_nogen, SA55_nogen, SA56_nogen, SA6, SA6_gen, SA7, SA7_gen, SA8, SA8_gen, SA9, SA9_gen, ShiffBaseRule, ShiffBaseRule, ShiffBaseRule, SkinSensitisationRule, SN1Rule, SN2Rule, SN2Rule, SN2Rule, SNARRule, SNARRule, StructureAlert, StructureAlertAmbit, StructureAlertCDK

public interface IRuleSMARTSubstructures
extends IImplementationDetails


Method Summary
 void addSubstructure(java.lang.String smarts)
           
 void addSubstructure(java.lang.String title, java.lang.String smarts)
           
 void clearSubstructures()
           
 boolean containsAllSubstructures()
           
 void deleteSubstructure(java.lang.String title)
           
 java.lang.String getSubstructure(java.lang.String title)
           
 void setContainsAllSubstructures(boolean value)
           
 void setSubstructure(java.lang.String title, java.lang.String smarts)
           
 
Methods inherited from interface toxTree.core.IImplementationDetails
getImplementationDetails
 

Method Detail

addSubstructure

void addSubstructure(java.lang.String smarts)
                     throws ambit2.smarts.query.SMARTSException
Throws:
ambit2.smarts.query.SMARTSException

addSubstructure

void addSubstructure(java.lang.String title,
                     java.lang.String smarts)
                     throws ambit2.smarts.query.SMARTSException
Throws:
ambit2.smarts.query.SMARTSException

setSubstructure

void setSubstructure(java.lang.String title,
                     java.lang.String smarts)
                     throws ambit2.smarts.query.SMARTSException
Throws:
ambit2.smarts.query.SMARTSException

getSubstructure

java.lang.String getSubstructure(java.lang.String title)
                                 throws ambit2.smarts.query.SMARTSException
Parameters:
title -
Returns:
smarts, corresponding to title
Throws:
ambit2.smarts.query.SMARTSException

clearSubstructures

void clearSubstructures()

deleteSubstructure

void deleteSubstructure(java.lang.String title)

containsAllSubstructures

boolean containsAllSubstructures()

setContainsAllSubstructures

void setContainsAllSubstructures(boolean value)


Copyright © 2004-2012 Ideaconsult Ltd.. All Rights Reserved.