The code in fragment_graph.py was written before cluster_graph.py and was (and sort of is) the foundation for ClusterGraph objects. However, it doesn't make sense to call these graph objects ChemPerGraphs when all of the graph objects in ChemPer ARE ChemPerGraphs in some sense.
I think it makes sense to rename this to SingleGraph indicating its intended for a single fragment as opposed to a cluster of fragments.
bannanc
commented
5 years ago
The code in
fragment_graph.pywas written beforecluster_graph.pyand was (and sort of is) the foundation forClusterGraphobjects. However, it doesn't make sense to call these graph objectsChemPerGraphs when all of the graph objects in ChemPer ARE ChemPerGraphs in some sense.I think it makes sense to rename this to
SingleGraphindicating its intended for a single fragment as opposed to a cluster of fragments.