Interface | Description |
---|---|
Centre<A> |
Defines a stereo centre (normally on an atom or bond) that provides access and mutation of the centres descriptor.
|
CentreProvider<A> |
Provides the stereo-centres of a molecule.
|
Comparison |
Wrapper for a comparison between two ligands.
|
ConnectionProvider<A> | |
ConnectionTable<A> | |
Descriptor |
Defines a descriptor which can be assigned to an atom to indicate the type of chirality (if there is any).
|
DescriptorManager<A> | |
Digraph<A> |
Defines a directed graph of ligands.
|
Ligand<A> |
Defines a ligand which in the digraph is a side chain of a central atom.
|
LigandSorter<A> |
An injectable sorter for ligands.
|
Perceptor<A> | |
PriorityRule<A> |
Defines a comparator for ligands.
|
SignCalculator<A> |
Class | Description |
---|---|
Abstract2DSignCalculator<A> | |
DefaultPerceptor<A> | |
LigandComparison |
Simple holder for a ligand comparison.
|
MutableDescriptor |
Holds a mutable descriptor value that can be passed around and set.
|
Priority |
Holds some properties that are determined when sorting/prioritising ligands.
|
Enum | Description |
---|---|
Descriptor.Type |
Defines the type of the descriptor.
|
PriorityRule.Type |