Currently, adding "layers" or non-indexed atoms is done with a recursive method in the fragment_graphs and cluster_graphs. This is also true for making SMIRKS patterns for both new graphs here and ChemicalEnvironments. I tend to think that while loops are better (slightly less dangerous) than recursive methods. It would be nice to try to write these functions as loops instead of recursively.
Currently, adding "layers" or non-indexed atoms is done with a recursive method in the
fragment_graphsandcluster_graphs. This is also true for making SMIRKS patterns for both new graphs here andChemicalEnvironments. I tend to think that while loops are better (slightly less dangerous) than recursive methods. It would be nice to try to write these functions as loops instead of recursively.