Modifier and Type | Class and Description |
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class |
ReactionScheme
Classes that extends the definition of reaction to a scheme.
|
Modifier and Type | Method and Description |
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Iterable<IReactionScheme> |
ReactionScheme.reactionSchemes()
Returns an Iterable for looping over all IMolecularScheme
in this ReactionScheme.
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Modifier and Type | Method and Description |
---|---|
void |
ReactionScheme.add(IReactionScheme scheme)
Add a Scheme of Reactions.
|
void |
ReactionScheme.removeReactionScheme(IReactionScheme scheme)
Removes an IReactionScheme from this chemObject.
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Modifier and Type | Class and Description |
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class |
DebugReactionScheme
Debugging data class.
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Modifier and Type | Method and Description |
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Iterable<IReactionScheme> |
DebugReactionScheme.reactionSchemes()
Returns an Iterable for looping over all IMolecularScheme
in this ReactionScheme.
|
Modifier and Type | Method and Description |
---|---|
void |
DebugReactionScheme.add(IReactionScheme scheme)
Add a Scheme of Reactions.
|
Modifier and Type | Method and Description |
---|---|
Iterable<IReactionScheme> |
IReactionScheme.reactionSchemes()
Returns an Iterable for looping over all IMolecularScheme
in this ReactionScheme.
|
Modifier and Type | Method and Description |
---|---|
void |
IReactionScheme.add(IReactionScheme reactScheme)
Add a scheme of reactions.
|
void |
IReactionScheme.removeReactionScheme(IReactionScheme scheme)
Removes an IReactionScheme from this chemObject.
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Modifier and Type | Method and Description |
---|---|
org.xmlcml.cml.element.CMLReactionScheme |
Convertor.cdkReactionSchemeToCMLReactionScheme(IReactionScheme cdkScheme) |
org.xmlcml.cml.element.CMLCml |
Convertor.cdkReactionSchemeToCMLReactionSchemeAndMoleculeList(IReactionScheme cdkScheme) |
Modifier and Type | Method and Description |
---|---|
Iterable<IReactionScheme> |
ReactionScheme.reactionSchemes()
Returns an Iterable for looping over all IMolecularScheme
in this ReactionScheme.
|
Modifier and Type | Method and Description |
---|---|
void |
ReactionScheme.add(IReactionScheme scheme)
Add a Scheme of Reactions.
|
void |
ReactionScheme.removeReactionScheme(IReactionScheme scheme)
Removes an IReactionScheme from this chemObject.
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Modifier and Type | Method and Description |
---|---|
static IReactionScheme |
ReactionSchemeManipulator.createReactionScheme(IReactionSet reactionSet)
Create a IReactionScheme give a IReactionSet object.
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Modifier and Type | Method and Description |
---|---|
static IReactionSet |
ReactionSchemeManipulator.extractTopReactions(IReactionScheme reactionScheme)
Extract a set of Reactions which are in top of a IReactionScheme.
|
static IAtomContainerSet |
ReactionSchemeManipulator.getAllAtomContainers(IReactionScheme scheme)
get all AtomContainers object from a set of Reactions.
|
static IAtomContainerSet |
ReactionSchemeManipulator.getAllAtomContainers(IReactionScheme scheme,
IAtomContainerSet molSet)
Get all molecule objects from a set of Reactions given a
IAtomContainerSet to add. |
static List<String> |
ReactionSchemeManipulator.getAllIDs(IReactionScheme scheme)
Get all ID of this IReactionSet.
|
static IReactionSet |
ReactionSchemeManipulator.getAllReactions(IReactionScheme scheme)
Get all IReaction's object from a given IReactionScheme.
|
static ArrayList<IAtomContainerSet> |
ReactionSchemeManipulator.getAtomContainerSet(IAtomContainer origenMol,
IAtomContainer finalMol,
IReactionScheme reactionScheme)
Extract the list of AtomContainers taking part in the IReactionScheme to originate a
product given a reactant.
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