A
- public abstract class AbstractLigand<A> extends java.lang.Object implements Ligand<A>
Constructor and Description |
---|
AbstractLigand(ConnectionProvider<A> provider,
java.util.Set<A> visited,
MutableDescriptor descriptor,
int distance) |
AbstractLigand(MutableDescriptor descriptor,
int distance) |
AbstractLigand(java.util.Set<A> visited,
MutableDescriptor descriptor,
int distance) |
Modifier and Type | Method and Description |
---|---|
java.util.List<Arc<A>> |
getArcs() |
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.
|
Arc<A> |
getParentArc() |
ConnectionProvider<A> |
getProvider() |
java.util.Set<A> |
getVisited()
Access all previously visited atoms.
|
boolean |
isBranching() |
boolean |
isDuplicate() |
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 |
setDuplicate(boolean duplicate) |
void |
setProvider(ConnectionProvider<A> provider) |
java.lang.String |
toString() |
public AbstractLigand(ConnectionProvider<A> provider, java.util.Set<A> visited, MutableDescriptor descriptor, int distance)
provider
- visited
- descriptor
- distance
- public AbstractLigand(java.util.Set<A> visited, MutableDescriptor descriptor, int distance)
visited
- descriptor
- distance
- public AbstractLigand(MutableDescriptor descriptor, int distance)
descriptor
- distance
- public boolean isDuplicate()
isDuplicate
in interface Ligand<A>
public void setDuplicate(boolean duplicate)
duplicate
- public ConnectionProvider<A> getProvider()
public void setProvider(ConnectionProvider<A> provider)
provider
- public java.lang.Boolean isVisited(A atom)
Ligand
public java.util.Set<A> getVisited()
Ligand
Ligand.isVisited(A)
method can be used to determine if an atom has already been visited.getVisited
in interface Ligand<A>
Ligand.isVisited(Object)
public void setDescriptor(Descriptor descriptor)
Ligand
setDescriptor
in interface Ligand<A>
descriptor
- the new descriptor for this centreGeneral
,
Tetrahedral
,
Planar
,
Trigonal
public Descriptor getDescriptor()
Ligand
General.UNKNOWN
for unknown/not yet determined
centres.getDescriptor
in interface Ligand<A>
General
,
Tetrahedral
,
Planar
,
Trigonal
public java.util.List<Ligand<A>> getLigands()
Ligand
getLigands
in interface Ligand<A>
public void reset()
Ligand
public java.lang.String toString()
toString
in class java.lang.Object
public Arc<A> getParentArc()
getParentArc
in interface Ligand<A>
public int getDistanceFromRoot()
Ligand
getDistanceFromRoot
in interface Ligand<A>
public Descriptor getAuxiliary()
Ligand
getAuxiliary
in interface Ligand<A>
public void setAuxiliary(Descriptor descriptor)
Ligand
setAuxiliary
in interface Ligand<A>
descriptor
- the new auxiliary descriptorpublic int getDepth()
Ligand
public boolean isBranching()
isBranching
in interface Ligand<A>
public boolean isTerminal()
isTerminal
in interface Ligand<A>