Fix diversity

[AWBroscius]

Address post pull request task list on Issue 130

[codecov]

Codecov Report

Merging #138 (5b9f1e8) into main (c17b346) will increase coverage by 9.71%.
Report is 13 commits behind head on main.
The diff coverage is 100.00%.

@@            Coverage Diff             @@
##             main     #138      +/-   ##
==========================================
+ Coverage   40.35%   50.07%   +9.71%     
==========================================
  Files           8        9       +1     
  Lines         560      657      +97     
==========================================
+ Hits          226      329     +103     
+ Misses        334      328       -6     

Files Changed	Coverage Δ
DiverseSelector/distance.py	100.00% <ø> (ø)
DiverseSelector/converter.py	100.00% <100.00%> (ø)
DiverseSelector/diversity.py	100.00% <100.00%> (+4.34%)	⬆️
DiverseSelector/methods/dissimilarity.py	18.60% <100.00%> (ø)
DiverseSelector/utils.py	100.00% <100.00%> (+12.50%)	⬆️

[FanwangM]

I am good with the current PR.

We are missing one test for explicit_diversity_index. We can use RDKit to generate the small dataset in Figure 4A and use that as a test, https://pubs.acs.org/doi/10.1021/ci060074f. This may be a good exercise for someone who wants to learn more about RDKit.

Do you have any suggestions and is there anything we are still missing for the PR? I will fix the conflicts once you think this is good to merge. @FarnazH

[FanwangM]

I am good with most of the changes in this PR. Do you have any other comments? @FarnazH

[FanwangM]

The only problem is coding style, which I will address it later.