MobleyLab / chemper

Repository for Chemical Perception Sampling Tools
MIT License
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Improve cluster graph, fix recursion error, and make example notebooks #11

Closed bannanc closed 6 years ago

bannanc commented 6 years ago

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.

codecov-io commented 6 years ago

Codecov Report

Merging #11 into master will increase coverage by 1.94%. The diff coverage is 92.18%.