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Replace mdtraj by MDAnalysis #16

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ojeda-e opened this issue Jun 13, 2021 · 0 comments · Fixed by #34
Closed
2 tasks

Replace mdtraj by MDAnalysis #16

ojeda-e opened this issue Jun 13, 2021 · 0 comments · Fixed by #34
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@ojeda-e
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refactoring code rewrites without functional changes
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GSOC 2021
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MDAnalysis Refactor

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ojeda-e commented Jun 13, 2021

The initial version of the code uses the mdtraj library.
Next step is to replace all functions from mdtraj by MDAnalysis modules and adjust the code wherever is necessary.

Changes required in

  • core.py
  • /lib/mods.py.
@ojeda-e ojeda-e self-assigned this Jun 13, 2021
@ojeda-e ojeda-e added the refactoring code rewrites without functional changes label Jun 13, 2021
@lilyminium lilyminium added this to To do in GSOC 2021 Jun 13, 2021
@ojeda-e ojeda-e added this to the MDAnalysis Refactor milestone Jun 18, 2021
@ojeda-e ojeda-e moved this from To do to In progress in GSOC 2021 Jun 18, 2021
@ojeda-e ojeda-e moved this from In progress to To do in GSOC 2021 Jun 18, 2021
@ojeda-e ojeda-e mentioned this issue Jun 24, 2021
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GSOC 2021 automation moved this from To do to Done Jun 25, 2021
@ojeda-e ojeda-e mentioned this issue Jun 27, 2021
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@ojeda-e ojeda-e linked a pull request Jun 27, 2021 that will close this issue
Requested changes to initial refactor #38
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@ojeda-e ojeda-e removed a link to a pull request Jun 27, 2021
Requested changes to initial refactor #38
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refactoring code rewrites without functional changes
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GSOC 2021
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Initial refactor and test added [Fixes #33] MDAnalysis/membrane-curvature
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