This is test code for the two CDK implementations of equivalence class atom partitioning.

One is the org.openscience.cdk.graph.invariant.EquivalentClassPartitioner based on the paper by C Y Hu and L Xu : http://dx.doi.org/10.1016/0003-2670(94)80342-0 and the other is a newer (but apparently slower!) partition refinement algorithm.

Some of the tests use the fullerene library of M. Yoshida from www.jcrystal.com/products/wincnt/ or other sources.