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malramsay64 / statdyn-analysis

Collection of tools for the statistical dynamics analysis of Molecular Dynamics trajectories.
MIT License
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ENH Compute dynamics for a list of files #44

Closed malramsay64 closed 6 years ago

malramsay64 commented 6 years ago

This uses the python multiprocessing module to process a collection of files in parallel, while using an alternate thread to write the files. There is no support for parallel writing of HDF5 files and alternate methods don't work, so this is the only method of parallelism which will work given the constraints I am working in.

It turns out that creating parallel threads for processing is rather simple once the appropriate functions are set up.

codecov[bot] commented 6 years ago

Codecov Report

Merging #44 into master will decrease coverage by 0.17%. The diff coverage is 82.08%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #44      +/-   ##
==========================================
- Coverage   83.22%   83.04%   -0.18%     
==========================================
  Files          18       19       +1     
  Lines        1341     1380      +39     
==========================================
+ Hits         1116     1146      +30     
- Misses        225      234       +9
Impacted Files Coverage Δ
src/sdanalysis/util.py 92.85% <100%> (+3.11%) :arrow_up:
src/sdanalysis/main.py 86.84% <100%> (+0.54%) :arrow_up:
src/sdanalysis/threading.py 74.07% <74.07%> (ø)
src/sdanalysis/read.py 93.36% <80%> (-1.37%) :arrow_down:

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