Package | Description |
---|---|
uk.ac.ebi.reactionblast.interfaces | |
uk.ac.ebi.reactionblast.io.filesystem | |
uk.ac.ebi.reactionblast.tools.bulk |
Modifier and Type | Method and Description |
---|---|
void |
IDataSource.setTransformation(ITransformation<T> transformation)
Set the transformation to apply to the object before returning it.
|
Modifier and Type | Method and Description |
---|---|
void |
FilesystemMoleculeDataSource.setTransformation(ITransformation<org.openscience.cdk.interfaces.IAtomContainer> transformation) |
void |
FilesystemReactionDataSource.setTransformation(ITransformation<org.openscience.cdk.interfaces.IReaction> transformation) |
Modifier and Type | Class and Description |
---|---|
class |
BondChangeCalculationTransformation |
class |
MappingTransformation |
class |
MoleculeCanonicalizationTransformation
Transform a molecule to make it canonical.
|
class |
ReactionAromatizationTransformation |
class |
ReactionAtomIDTransformation
Just sets the atom ID to the mapping ID.
|
class |
ReactionCanonicalizationTransformation
Transform a reaction or molecule to make it canonical.
|
class |
ReactionIdentityTransformation
A trivial 'transformation' that does nothing to the reaction -
useful for testing.
|
class |
ReactionImplicitHydrogenTransformation |
class |
ReactionTransformationSequence
Transform a reaction by applying a sequence of transformations, for example
canonicalization then mapping.
|
Modifier and Type | Method and Description |
---|---|
void |
ReactionTransformationSequence.add(ITransformation<org.openscience.cdk.interfaces.IReaction> transformation) |
Constructor and Description |
---|
BulkTransformer(ITransformation transformation) |