Class | Description |
---|---|
AtomContainerAtomPermutor |
This class iterates through all possible permutations of the atom order in a
given atom container.
|
AtomContainerBondPermutor |
This class allows to iterate trough the set of all possible
permutations of the bond order in a given atom container.
|
AtomContainerPermutor |
The permutation code here is based on a pseudo code example
on a tutorial site created and maintained by Phillip P.
|
BFSShortestPath |
Utility class that finds the shortest bond path between two atoms using
a breadth first search.
|
BiconnectivityInspector |
Finds the biconnected components of a graph.
|
ConnectivityChecker |
Tool class for checking whether the (sub)structure in an
AtomContainer is connected.
|
MinimalPathIterator |
Iterates over all shortest paths between two vertices in an undirected, unweighted graph.
|
MoleculeGraphs |
Utility class to create a molecule graph for use with JGraphT.
|
PathTools |
Tools class with methods for handling molecular graphs.
|
SpanningTree |
Spanning tree of a molecule.
|