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save_trajs support for fragmented data source #1514

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merged 13 commits into from
Nov 2, 2021

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@clonker clonker commented Oct 13, 2021

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codecov bot commented Oct 13, 2021

Codecov Report

Merging #1514 (b2748ca) into devel (366ce03) will increase coverage by 0.00%.
The diff coverage is 96.80%.

Impacted file tree graph

@@           Coverage Diff           @@
##            devel    #1514   +/-   ##
=======================================
  Coverage   92.03%   92.04%           
=======================================
  Files         229      229           
  Lines       26804    26830   +26     
=======================================
+ Hits        24670    24695   +25     
- Misses       2134     2135    +1     
Impacted Files Coverage Δ
pyemma/coordinates/clustering/tests/test_kmeans.py 98.00% <ø> (-0.01%) ⬇️
pyemma/coordinates/data/util/reader_utils.py 87.71% <66.66%> (-0.57%) ⬇️
pyemma/coordinates/api.py 88.11% <87.50%> (-0.11%) ⬇️
pyemma/coordinates/clustering/regspace.py 93.24% <92.85%> (+5.57%) ⬆️
pyemma/_base/serialization/tests/test_cli.py 100.00% <100.00%> (+3.33%) ⬆️
pyemma/coordinates/clustering/interface.py 89.25% <100.00%> (ø)
pyemma/coordinates/clustering/kmeans.py 94.42% <100.00%> (+0.09%) ⬆️
pyemma/coordinates/tests/test_save_trajs.py 98.87% <100.00%> (+0.19%) ⬆️
...emma/_ext/variational/solvers/tests/test_direct.py 88.88% <0.00%> (-8.89%) ⬇️
... and 4 more

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@clonker
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clonker commented Oct 13, 2021

The test failure is unrelated to this set of changes, following up with another PR

@clonker clonker requested a review from thempel November 2, 2021 09:08
used_data = used_frames / float(it.n_frames_total()) * 100.0
raise NotConvergedWarning("Used data for centers: %.2f%%" % used_data)
except Exception as e:
if 'MaxCentersReachedException' in e.__class__.__name__:
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Can't this exception be caught explicitly?

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with the next deeptime release yes :) right now it's set up a bit unfortunate with the rmsd metric so i can only catch it implicitly.

@clonker clonker merged commit 9532983 into markovmodel:devel Nov 2, 2021
@clonker clonker deleted the save_trajs_frag branch November 2, 2021 13:16
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2 participants