I'm still working on adding documentation. I improved the cluster graph code I wrote a couple of weeks ago. I also added more extensive tests for those and the "fragment" or single molecule graphs. This included reducing some of the redundancy of code from a couple of weeks ago.
I'm hoping to get a jupyter notebook of examples in before merging this PR.
I'm still working on adding documentation. I improved the cluster graph code I wrote a couple of weeks ago. I also added more extensive tests for those and the "fragment" or single molecule graphs. This included reducing some of the redundancy of code from a couple of weeks ago.
I'm hoping to get a jupyter notebook of examples in before merging this PR.