Uses of Package
org.openscience.cdk.graph
Package
Description


ClassDescriptionThe base class for permutors of atom containers, with a single abstract method
containerFromPermutation
that should be implemented in concrete derived classes.Defines a method to find the cycles of a molecule.A utility class for storing and computing the cycles of a chemical graph.Utility for storingIBond
s indexed by vertex end points.A matching is an independent edge set of a graph.Compute the minimum cycle basis (MCB) of a graph.General permutation generator, that uses orderly generation by ranking and unranking.Find and reconstruct the shortest paths from a given start atom to any other connected atom. 