Mol2D

[ralf-meyer]

Adds the new Mol2D class including 3 different ways of constructing (from .mol, .mol2, and smiles) + the different versions of the molecular graph hash

[codecov]

Codecov Report

Attention: Patch coverage is 93.81443% with 6 lines in your changes are missing coverage. Please review.

Project coverage is 35.08%. Comparing base (3b66225) to head (8ded31e).
Report is 23 commits behind head on master.

Files	Patch %	Lines
molSimplify/Classes/mol2D.py	93.81%	6 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##           master     #207      +/-   ##
==========================================
+ Coverage   34.72%   35.08%   +0.35%     
==========================================
  Files          90       91       +1     
  Lines       29998    30203     +205     
==========================================
+ Hits        10417    10596     +179     
- Misses      19581    19607      +26     

Flag	Coverage Δ
unittests	35.08% <93.81%> (+0.35%)	⬆️

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