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WIP: New topology docs (#1078)#1176

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richardjgowers merged 1 commit intodevelopfrom
docs-topologydocs
Jan 26, 2017
Merged

WIP: New topology docs (#1078)#1176
richardjgowers merged 1 commit intodevelopfrom
docs-topologydocs

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@dotsdl dotsdl commented Jan 18, 2017

Fixes #1078

Changes made in this Pull Request:

  • added new topology.rst doc page describing topology system
  • small edits to surrounding pages for continuity and consistency

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

@dotsdl dotsdl added this to the 0.16.0 milestone Jan 18, 2017
@dotsdl dotsdl self-assigned this Jan 18, 2017
@dotsdl dotsdl requested a review from richardjgowers January 18, 2017 19:18
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The existing overview page is a nice page 1 for part 1, maybe with a quick update.

After this maybe the essentials

  • creating a Universe (and the two pillars a Universe is built on, Top and Traj) (this is what you've started here imo)
  • working with AtomGroups
  • AtomGroup selections (already there)
  • working with Residues and Segments (and also the levels of different attributes)
  • working with the trajectory (traj iteration and quirks of the one frame at a time system)
  • coordinate manipulation (introducing distance array and friends)
  • the analysis module (idea of prepackaged analysis tools, and how to write your own...)

Then past this point we're into more specific cases

  • working with bonds angles torsions
  • advanced Universe creation (everything left out of the previous Universe section to keep it light)
  • advanced Reader usage (ChainReader, auxs)
  • advanced Topology manipulation, (adding Attrs, creating new Attrs, adding/removing Res/Seg)

@richardjgowers richardjgowers merged commit 6b8c66d into develop Jan 26, 2017
@richardjgowers richardjgowers deleted the docs-topologydocs branch January 26, 2017 21:27
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dotsdl commented Jan 26, 2017

@richardjgowers ? I know I'm slow, but why are we merged now?

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I'm making another PR with docs, and I didn't want to cause merge conflicts

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dotsdl commented Jan 26, 2017

Ah gotcha. No worries, just saw it.

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