Molblock + other things

[hadim]

Checklist:

• [x] Add tests to cover the fixed bug(s) or the new introduced feature(s) (if appropriate).
• [ ] Update the API documentation is a new function is added or an existing one is deleted.
• [x] Added a news entry.
  • copy news/TEMPLATE.rst to news/my-feature-or-branch.rst) and edit it.

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[codecov[bot]]

Codecov Report

Merging #106 (28e1e4e) into main (edbe94d) will increase coverage by 0.03%. The diff coverage is 95.23%.

@@            Coverage Diff             @@
##             main     #106      +/-   ##
==========================================
+ Coverage   83.80%   83.84%   +0.03%     
==========================================
  Files          48       48              
  Lines        3452     3472      +20     
==========================================
+ Hits         2893     2911      +18     
- Misses        559      561       +2     

Flag	Coverage Δ
unittests	83.84% <95.23%> (+0.03%)	:arrow_up:

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files	Coverage Δ
datamol/io.py	89.79% <94.44%> (+0.90%)	:arrow_up:
datamol/__init__.py	100.00% <100.00%> (ø)
datamol/viz/utils.py	80.00% <0.00%> (-6.67%)	:arrow_down:

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[hadim]

Should we time with the mdl issue in outlines ?

I am fine with both: merging and iterating fast or holding here as the features in that PR are not super urgent.

[hadim]

@maclandrol what about #105?

[maclandrol]

@hadim , we can close #105, I forgot about the fact we had it already. Was looking into the scaffold module

[hadim]

Ok thanks. Then I'll merge here and we can iterate further if we need to modify the molblock logic.