Package | Description |
---|---|
ambit2.reactions | |
ambit2.reactions.reactor | |
ambit2.reactions.retrosynth | |
ambit2.reactions.rules |
Modifier and Type | Field and Description |
---|---|
GenericReaction |
GenericReactionInstance.reaction |
Modifier and Type | Field and Description |
---|---|
List<GenericReaction> |
ReactionDataBase.excludedGenericReactions |
List<GenericReaction> |
ReactionDataBase.genericReactions |
Modifier and Type | Method and Description |
---|---|
GenericReaction |
ReactionDataBase.getGenericReactionByID(int id) |
static GenericReaction |
GenericReaction.getReactionFromJsonNode(com.fasterxml.jackson.databind.JsonNode node) |
static GenericReaction |
GenericReaction.getReactionFromTokens(String[] tokens,
Map<String,Integer> indices) |
Constructor and Description |
---|
GenericReactionInstance(GenericReaction reaction,
org.openscience.cdk.interfaces.IAtomContainer target,
List<org.openscience.cdk.interfaces.IAtom> instanceAtoms) |
GenericReactionInstance(GenericReaction reaction,
org.openscience.cdk.interfaces.IAtomContainer target,
List<org.openscience.cdk.interfaces.IAtom> instanceAtoms,
org.openscience.cdk.interfaces.IAtomContainer products) |
Modifier and Type | Field and Description |
---|---|
GenericReaction |
ReactorInfoPack.reaction |
Modifier and Type | Method and Description |
---|---|
GenericReaction |
ReactionSequenceStep.getReaction() |
Modifier and Type | Method and Description |
---|---|
Map<GenericReaction,List<List<org.openscience.cdk.interfaces.IAtom>>> |
ReactionSequence.generateAllReactionInstances(org.openscience.cdk.interfaces.IAtomContainer mol) |
Map<GenericReaction,List<List<org.openscience.cdk.interfaces.IAtom>>> |
ReactionSequence.generateAllReactionInstances(org.openscience.cdk.interfaces.IAtomContainer mol,
List<GenericReaction> reactions) |
Modifier and Type | Method and Description |
---|---|
void |
ReactionSequence.generateSequenceStepForReactionInstance(ReactionSequenceLevel level,
int moleculeIndex,
GenericReaction reaction,
List<org.openscience.cdk.interfaces.IAtom> reactionInstance) |
void |
ReactionSequenceStep.setReaction(GenericReaction reaction) |
Modifier and Type | Method and Description |
---|---|
Map<GenericReaction,List<List<org.openscience.cdk.interfaces.IAtom>>> |
ReactionSequence.generateAllReactionInstances(org.openscience.cdk.interfaces.IAtomContainer mol,
List<GenericReaction> reactions) |
static Object[] |
SyntheticStrategy.getRandomSelection(Map<GenericReaction,List<List<org.openscience.cdk.interfaces.IAtom>>> instances) |
List<GenericReactionInstance> |
ReactionSequence.handleReactionInstances(Map<GenericReaction,List<List<org.openscience.cdk.interfaces.IAtom>>> instances,
org.openscience.cdk.interfaces.IAtomContainer target) |
Modifier and Type | Method and Description |
---|---|
static void |
ReactionParser.parseReactionConditionsFromString(GenericReaction r,
String condStr) |
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