Package | Description |
---|---|
ambit2.reactions | |
ambit2.reactions.reactor | |
ambit2.reactions.retrosynth | |
ambit2.smarts |
SMARTS parser |
ambit2.smarts.processors |
Modifier and Type | Method and Description |
---|---|
org.openscience.cdk.interfaces.IAtomContainer |
GenericReaction.applyAtInstance(org.openscience.cdk.interfaces.IAtomContainer target,
List<org.openscience.cdk.interfaces.IAtom> instance,
SMIRKSManager smrkMan) |
org.openscience.cdk.interfaces.IAtomContainer |
GenericReaction.applyAtInstance(org.openscience.cdk.interfaces.IAtomContainer target,
List<org.openscience.cdk.interfaces.IAtom> instance,
SMIRKSManager smrkMan,
boolean FlagClone) |
org.openscience.cdk.interfaces.IAtomContainer |
GenericReaction.applyAtInstancesSimultaneously(org.openscience.cdk.interfaces.IAtomContainer target,
List<List<org.openscience.cdk.interfaces.IAtom>> instances,
SMIRKSManager smrkMan,
boolean FlagClone) |
void |
GenericReaction.configure(SMIRKSManager smrkMan) |
void |
ReactionDataBase.configureGenericReactions(SMIRKSManager smrkMan) |
List<List<org.openscience.cdk.interfaces.IAtom>> |
GenericReaction.findReactionInstances(org.openscience.cdk.interfaces.IAtomContainer target,
SMIRKSManager smrkMan) |
List<List<org.openscience.cdk.interfaces.IAtom>> |
GenericReaction.findReactionInstances(org.openscience.cdk.interfaces.IAtomContainer target,
SMIRKSManager smrkMan,
SmartsConst.SSM_MODE SSMode) |
Modifier and Type | Field and Description |
---|---|
protected SMIRKSManager |
Reactor.smrkMan |
Modifier and Type | Method and Description |
---|---|
SMIRKSManager |
Reactor.getSMIRKSManager() |
Modifier and Type | Method and Description |
---|---|
SMIRKSManager |
ReactionSequence.getSmrkMan() |
Modifier and Type | Method and Description |
---|---|
void |
ReactionSequence.setSmrkMan(SMIRKSManager smrkMan) |
Modifier and Type | Method and Description |
---|---|
static SMIRKSManager |
SMIRKSManager.getDefaultSMIRKSManager() |
Modifier and Type | Field and Description |
---|---|
protected SMIRKSManager |
SMIRKSProcessor.smrkMan |
Modifier and Type | Method and Description |
---|---|
boolean |
SMIRKSTransformation.applyTransformation(SMIRKSManager smrkMan,
org.openscience.cdk.interfaces.IAtomContainer target) |
void |
SMIRKSTransformation.configure(SMIRKSManager smrkMan) |
void |
NeutraliseProcessor.configureReactions(SMIRKSManager smrkMan) |
void |
SMIRKSProcessor.configureReactions(SMIRKSManager smrkMan) |
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