MDAnalysis / membrane-curvature

MDAnalysis tool to calculate membrane curvature.
https://membrane-curvature.readthedocs.io/
GNU General Public License v3.0
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Updated tutorial membrane-only system. #78

Closed ojeda-e closed 2 years ago

ojeda-e commented 2 years ago

After fixing #70 , the tutorial of the membrane-only system needed some updates. This version should close #74.

Changes in this PR:

I'm tagging @lilyminium and @orbeckst who usually review my PRs, but more reviewers are welcome. :) Thanks.

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Codecov Report

Merging #78 (9c449f9) into main (4e1c225) will not change coverage. The diff coverage is n/a.

ojeda-e commented 2 years ago

@lilyminium @orbeckst would you please help me with a quick review here? Thanks :)

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hmacdope commented on 2021-09-29T04:29:19Z ----------------------------------------------------------------

Perhaps you can do this with a numpy or scipy function and get it to spit out 1% at the end. Something like np.std(axis=0)


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hmacdope commented on 2021-09-29T04:29:20Z ----------------------------------------------------------------

You can also do an equality check on the residues, should be illustrative for a user to see ==


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hmacdope commented on 2021-09-29T04:29:21Z ----------------------------------------------------------------

As noted above I would directly test for equality here. I would also remove the word "new" from variable names and be more specific eg leafletfinder_leaflets


ojeda-e commented on 2021-09-29T21:58:01Z ----------------------------------------------------------------

Thanks, I changed the name of the variables but left the equality test only for the previous comment. My intention here is more to read the elements of each leaflet. Hope this works too. :)