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Reader + Topology doc structure #1817

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richardjgowers opened this issue Mar 9, 2018 · 2 comments
Open

Reader + Topology doc structure #1817

richardjgowers opened this issue Mar 9, 2018 · 2 comments

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@richardjgowers
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So currently our documentation tree closely follows the source code layout, so we have a coordinates and topology page off the main page. I think this is pretty useless as most people will never actually have to interact with either of these modules to load their stuff, but it seems like a natural option if you have never used the package before.

Could we merge these two (at a documentation level) so our doc tree would look like:

Mainpage
    + MDAnalysis overview (current introduction)
    + How to read your files (general discussion of the arguments of Universe)
        + Reading Gromacs files (information particular to this particular MD format)
            + topology.GROParser  (if you're reaaallly interested in how this is implemented, go see the details)
            + coordinates.GROReader
            + coordinates.XDRReader
        + Reading Lammps files
        + etc for each format
    + Selection commands

I think this will better match what people expect.

This will require more documentation to live outside of the .py files and instead in .rsts, but apart from that I can't really see a problem. I guess the line being that .py documentation is for developer/people playing with internals, .rst is for people just wanting to use MDA.

Unless anyone sees a big problem with this I'll start working on this in a couple days.

@orbeckst
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orbeckst commented Mar 11, 2018

Makes sense to me.

Ultimately, splitting the docs into "intro/user" and "developer/API" would be good (#1175) but I think we could take your structure and put the "inner" parts into the API docs when we get to a big doc restructuring.

Regarding topology docs: The thread https://groups.google.com/d/msg/mdnalysis-discussion/DCJzYzBbDJI/xUiqyAdfBQAJ could be a good starting point for an example using Universe.empty().

@orbeckst
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See also #1845 : how to include docs for methods that only come into existence if the appropriate TopologyAttr is present. (Is this magic explained somewhere?)

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