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Issue 1047 encore docs#1056

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kain88-de merged 6 commits intodevelopfrom
issue-1047-encore-docs
Nov 4, 2016
Merged

Issue 1047 encore docs#1056
kain88-de merged 6 commits intodevelopfrom
issue-1047-encore-docs

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@orbeckst
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@orbeckst orbeckst commented Oct 28, 2016

Fixes #1047

Changes made in this Pull Request:

  • include encore docs in sphinx doc tree
  • updated overall references
  • included and update MemoryReader docs
  • added remaining ENCORE authors to AUTHORS

PR Checklist

  • Tests? n/a
  • Docs?
  • CHANGELOG updated?, n/a
  • Issue raised/referenced?

- collected references in references.rst; removedt the full MDAnalysis references from
  the index page and just link to the citations in references.rst
- use reST citation syntax so that one can refer to the citations from *anywhere* in the
  docs; in this way we only need to maintain them in a single place
- added ENCORE reference
- added MDAnalysis SciPy reference
- reformatted all references to a common style; note that I needed to manually break some
  lines to avoid starting lines with character followed by period (such as 'O. Beckstein')
  because reST/sphinx interpretes 'O.' as a enumerated list and messes up the format.
- created top level encore.rst that reproduces some text from encore.similarity
- added stubs for complete automodule loading when possible or wrote small rst files
  with header and automodule/member loading
- combined Clustering submodules and Dimensionality Reduction submodules each into
  one file
@orbeckst orbeckst added this to the 0.16.0 milestone Oct 28, 2016
@orbeckst
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@mtiberti / @wouterboomsma please have a look at the encore docs. I only made sure that all files are referenced somewhere and show up with a header.

Please feel free to change as you see fit.

In encore.similarities I had to change the section style from single underscore to double underscore to avoid a conflict with sphinx/napoleon and the numpy doc style.

On this branch docs are not built and published so you have to do it yourself. The following works for me (I use a virtualenv):

pip install -e package/
cd package/doc/sphinx
make html

then browse package/doc/html/index.html.

@wouterboomsma
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@orbeckst Thanks for the comments. I'll try to fix this in the coming week.

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orbeckst commented Nov 1, 2016

@wouterboomsma if you look through what I have done and only have minor corrections then add them as comments/reviews. If this is basically ok then we just need someone like @kain88-de to say ok and merge and then you can still add more doc changes later.

If something is fundamentally wrong with what I wrote then we obviously don't want to merge this. Ultimately you or one of the other ENCORE devs are the ones who can make this call.

@wouterboomsma
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@orbeckst Thanks for putting in this work. I've found a bunch of small things with weird whitespace in the code etc. Are you sure it wouldn't be easier if I make the changes locally and then make a PR to this branch?
On a related note: this issue is related to Encore docs. But it seems that the MemoryReader is also not popping up properly - at least not where I expected to find it. Can you give me a hint on what I need to change to make it appear?

@kain88-de
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@wouterboomsma feel free make a PR against this branch.

About the MemoryReader docs. I think they need to be added here

- fixes #1056 (comment)
- added entry to reST sphinx docs
- added/changed docs in coordinates/memory.py:
  - included AnalysisFromFunction example from MDAnalysis/MDAnalysis.github.io#30 (comment)
  - included transfer_to_memory() example
  - included example for how to make a in-memory trajectory of a sub-system with Merge() and Universe.load_new()
    from #915 (comment)
- minor reST fixes in the MemoryReader docs (e.g., renamed the Examples section because the
  numpy format napoleon parser treats this heading special and does not recognize it as a standard
  section)
@orbeckst
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orbeckst commented Nov 2, 2016

I added the MemoryReader docs in 5a24204, including the examples discussed in

@wouterboomsma
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@orbeckst, Hehe, I just made almost exactly the same changes locally yesterday. I'll just merge them and finalise our edits. I'll submit a PR later today.

* Fixes in Encore and MemoryReader documentation to make it render with sphinx.

* Edits in Encore and MemoryReader documentation.

* Renamed PrincipleComponentAnalysis to PrincipalComponentAnalysis. Minor edits in documentation.

* Changed spacing issues
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@orbeckst & @wouterboomsma are you happy with the current state now?

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I'm happy.

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orbeckst commented Nov 4, 2016

added minor fix to one of the encore citation reST and fixed an error message in analysis.density, just because I couldn't be bothered to put it into a separate commit/PR....

I am happy. Once we decide on the order of the MemoryReader (afc vs fac) #1063 we just have to adapt those parts of the docs but at least they are correct as of now.

@kain88-de are you going to merge?

@kain88-de kain88-de merged commit 168e592 into develop Nov 4, 2016
@richardjgowers richardjgowers deleted the issue-1047-encore-docs branch November 4, 2016 09:56
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include docs for MemoryReader

- fixes MDAnalysis#1056 (comment)
- added entry to reST sphinx docs
- added/changed docs in coordinates/memory.py:
  - included AnalysisFromFunction example from MDAnalysis/MDAnalysis.github.io#30 (comment)
  - included transfer_to_memory() example
  - included example for how to make a in-memory trajectory of a sub-system with Merge() and Universe.load_new()
    from MDAnalysis#915 (comment)
- minor reST fixes in the MemoryReader docs (e.g., renamed the Examples section because the
  numpy format napoleon parser treats this heading special and does not recognize it as a standard
  section)
abiedermann pushed a commit to abiedermann/mdanalysis that referenced this pull request Jan 5, 2017
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3 participants