mojaie / MolecularGraph.jl

Graph-based molecule modeling toolkit for cheminformatics
MIT License
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Base.multimedia.display(mol) #77

Closed eahenle closed 1 year ago

eahenle commented 1 year ago

Implements Base.Multimedia.display for GraphMol objects, so that they can easily be displayed in Pluto notebooks.

Addresses #64 (closes?)

image

Implementation sets a default 250 px * 250 px size for the SVG and allows positional input of custom render dimensions.

codecov-commenter commented 1 year ago

Codecov Report

Merging #77 (d463873) into master (00c880e) will decrease coverage by 0.25%. The diff coverage is 0.00%.

@@            Coverage Diff             @@
##           master      #77      +/-   ##
==========================================
- Coverage   76.14%   75.88%   -0.26%     
==========================================
  Files          56       56              
  Lines        4963     4964       +1     
==========================================
- Hits         3779     3767      -12     
- Misses       1184     1197      +13     
Impacted Files Coverage Δ
src/draw/svg.jl 75.20% <0.00%> (-0.31%) :arrow_down:
src/coordgen.jl 69.23% <0.00%> (-5.77%) :arrow_down:
src/graph/contraction.jl 82.22% <0.00%> (-4.45%) :arrow_down:
src/graph/matching.jl 90.09% <0.00%> (-2.98%) :arrow_down:
src/wclogp.jl 91.39% <0.00%> (-1.23%) :arrow_down:
src/graph/bipartite.jl 98.87% <0.00%> (-1.13%) :arrow_down:
src/sdfilereader.jl 48.61% <0.00%> (-0.47%) :arrow_down:
src/draw/draw3d.jl 97.82% <0.00%> (+2.17%) :arrow_up:

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mojaie commented 1 year ago

Looks great. Thank you very much!

SimonEnsemble commented 1 year ago

awesome! it still doesn't work for me, though, on M1 Silicon. I posted an issue on coordgenlibs_jll. if there is anything I am capable of doing to help solve this, please point me to the resources to learn to help make a PR!

https://github.com/JuliaBinaryWrappers/coordgenlibs_jll.jl/issues/1