A
- public interface Centre<A> extends Ligand<A>
Descriptor
,
General
,
Tetrahedral
,
Planar
,
Trigonal
Modifier and Type | Method and Description |
---|---|
void |
dispose()
Clean up the digraph
|
java.util.Set<A> |
getAtoms()
Access the centre atoms that define this centre.
|
Descriptor |
perceive(java.util.List<Ligand<A>> proximal,
PriorityRule<A> rule,
SignCalculator<A> calculator) |
Descriptor |
perceive(PriorityRule<A> rule,
SignCalculator<A> calculator)
Perceives the descriptor for this centre given a priority rule and a calculator for the sign of the space.
|
int |
perceiveAuxiliary(java.util.Collection<Centre<A>> centres,
PriorityRule<A> rule,
SignCalculator<A> calculator) |
getArcs, getAtom, getAuxiliary, getDepth, getDescriptor, getDistanceFromRoot, getLigands, getParent, getParentArc, getVisited, isBranching, isDuplicate, isParent, isTerminal, isVisited, reset, setAuxiliary, setDescriptor, setParent
java.util.Set<A> getAtoms()
Descriptor perceive(PriorityRule<A> rule, SignCalculator<A> calculator)
rule
- the rule by which this centre's proximal ligands are sortedcalculator
- the sign calculator to use (normally 2D or 3D).Descriptor perceive(java.util.List<Ligand<A>> proximal, PriorityRule<A> rule, SignCalculator<A> calculator)
proximal
- rule
- calculator
- int perceiveAuxiliary(java.util.Collection<Centre<A>> centres, PriorityRule<A> rule, SignCalculator<A> calculator)
centres
- rule
- calculator
- void dispose()