Open ianmkenney opened 8 years ago
While the tests currently do what we want, it would be a good idea to check more than just the fact that the solvation process has no errors.
What should be checked:
Was this part of the PR #39 ?
This has not been included yet. I wanted to expand these tests after covering a few of the other steps in our workflow.
While the tests currently do what we want, it would be a good idea to check more than just the fact that the solvation process has no errors.
What should be checked: