Package | Description |
---|---|
ambit2.reactions.retrosynth |
Modifier and Type | Method and Description |
---|---|
GenericReactionInstance |
ReactionSequence.getBestInstance(List<GenericReactionInstance> griList) |
Modifier and Type | Method and Description |
---|---|
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 |
---|---|
ReactionScore |
SyntheticStrategy.calcReactionScore(GenericReactionInstance gri) |
static int |
ReactionSequence.compare(GenericReactionInstance inst0,
GenericReactionInstance inst1,
ReactionSequence.SortingMethod sortMethod) |
void |
ReactionSequence.generateSequenceStepForReactionInstance(ReactionSequenceLevel level,
int moleculeIndex,
GenericReactionInstance gri) |
Modifier and Type | Method and Description |
---|---|
GenericReactionInstance |
ReactionSequence.getBestInstance(List<GenericReactionInstance> griList) |
static int[] |
ReactionSequence.sortReactionInstances(List<GenericReactionInstance> griList) |
static int[] |
ReactionSequence.sortReactionInstances(List<GenericReactionInstance> griList,
ReactionSequence.SortingMethod sortMethod) |
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