A
- public interface Ligand<A>
Digraph
.
Each ligand provides the atom that this ligand represents as well as the child ligands. The ligand also allows
determination of parent and visited atoms.Digraph
Modifier and Type | Method and Description |
---|---|
java.util.List<Arc<A>> |
getArcs() |
A |
getAtom() |
Descriptor |
getAuxiliary()
Access the auxiliary descriptor for this ligand.
|
int |
getDepth()
Access the depth (z coord)
|
Descriptor |
getDescriptor()
Access the descriptor for this centre.
|
int |
getDistanceFromRoot()
Access the distance from the root this ligand is
|
java.util.List<Ligand<A>> |
getLigands()
Access the child ligands.
|
A |
getParent() |
Arc<A> |
getParentArc() |
java.util.Set<A> |
getVisited()
Access all previously visited atoms.
|
boolean |
isBranching() |
boolean |
isDuplicate() |
java.lang.Boolean |
isParent(A atom)
Determines if the provided atom is this ligands parent.
|
boolean |
isTerminal() |
java.lang.Boolean |
isVisited(A atom)
Determine if the provided atom has already been visited
|
void |
reset()
Resets any caches
|
void |
setAuxiliary(Descriptor descriptor)
Sets the auxiliary descriptor for this ligand
|
void |
setDescriptor(Descriptor descriptor)
Sets the descriptor for this centre.
|
void |
setParent(A atom)
Set the parent of ligand for when we are shuffling around for auxiliary descriptors.
|
boolean isTerminal()
boolean isBranching()
boolean isDuplicate()
A getAtom()
void reset()
void setDescriptor(Descriptor descriptor)
descriptor
- the new descriptor for this centreGeneral
,
Tetrahedral
,
Planar
,
Trigonal
Descriptor getDescriptor()
General.UNKNOWN
for unknown/not yet determined
centres.General
,
Tetrahedral
,
Planar
,
Trigonal
java.util.List<Ligand<A>> getLigands()
java.util.Set<A> getVisited()
isVisited(A)
method can be used to determine if an atom has already been visited.isVisited(Object)
java.lang.Boolean isParent(A atom)
atom
- a potential parentvoid setParent(A atom)
atom
- A getParent()
java.lang.Boolean isVisited(A atom)
atom
- the atom which may be visitedvoid setAuxiliary(Descriptor descriptor)
descriptor
- the new auxiliary descriptorDescriptor getAuxiliary()
int getDistanceFromRoot()
int getDepth()