gph82 / mdciao

mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
http://proteinformatics.org/mdciao
GNU Lesser General Public License v3.0
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Flare #32

Closed gph82 closed 2 years ago

gph82 commented 3 years ago

Overhauling of the flareplot generation, in particular of flare.circle_plot_residues.

Previous "floating" of textlabels to avoid overlaps in the axis is dropped. Some tradeoffs made (e.g. getting FanceBoxPatches for each label) might make large plots slower but make the outer-radius computation much easier, with less code and very few "un-overlap" operations.

Fontsizes are consistently updated on every axis limit change

Fragmentation is almost entirely automated from the consensus labelers, with new possibility to have parent and child fragments e.g. B2AR (parent) and TM6 (child)

Some API break/changes

codecov-commenter commented 3 years ago

Codecov Report

Merging #32 (02e24b0) into master (0bb3f4a) will decrease coverage by 0.70%. The diff coverage is 93.92%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #32      +/-   ##
==========================================
- Coverage   97.50%   96.80%   -0.71%     
==========================================
  Files          48       49       +1     
  Lines       10156    10828     +672     
==========================================
+ Hits         9903    10482     +579     
- Misses        253      346      +93     
Flag Coverage Δ
unittests 96.80% <93.92%> (-0.71%) :arrow_down:

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Impacted Files Coverage Δ
mdciao/fragments/__init__.py 100.00% <ø> (ø)
mdciao/plots/__init__.py 100.00% <ø> (ø)
mdciao/utils/lists.py 98.29% <ø> (+0.18%) :arrow_up:
setup.py 0.00% <ø> (ø)
mdciao/flare/_textutils.py 79.72% <79.72%> (ø)
mdciao/fragments/fragments.py 94.95% <82.00%> (-2.12%) :arrow_down:
mdciao/flare/flare.py 92.09% <85.33%> (-0.57%) :arrow_down:
mdciao/nomenclature/nomenclature.py 96.56% <87.50%> (+0.27%) :arrow_up:
mdciao/contacts/contacts.py 92.82% <88.04%> (-3.62%) :arrow_down:
mdciao/cli/cli.py 98.35% <93.75%> (-0.22%) :arrow_down:
... and 26 more

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