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migration guide for 0.10 to 0.11 transition #381

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orbeckst opened this issue Aug 5, 2015 · 3 comments
Closed

migration guide for 0.10 to 0.11 transition #381

orbeckst opened this issue Aug 5, 2015 · 3 comments

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@orbeckst
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orbeckst commented Aug 5, 2015

With the big API changes in the 0.11.0 release, we need documentation to support the users in transitioning their existing code. @tylerjereddy already started the wiki page MDAnalysis 0.11 unifying release user guide.

This page (and possibly others, as needed, such as the Releases Notes for 0.11.0) have to be up-to-date and complete before the release so that we can send users to those pages.

@tylerjereddy
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MDAnalysis 0.11 user guide sections that require developer verification (please edit and fill in as below if you are comfortable verifying an example covering a particular API change):

API Change Verified by a Developer ?
Removed Contact Matrix progress meter
New Timestep behaviour Richard
atomgroup methods to properties and select_atoms replacing selectAtoms Tyler
Atom.number renamed to Atom.index Tyler (but Atom.number still works in my hands)
Migration of some code to MDAnalysis.lib Tyler (but could use some more examples; also, these are deprecations rather than hard replacements?)
Timestep._x _y and _z are now read only Richard
numberOfAtoms() to n_atoms and others Tyler
Renamed topology methods Richard
Frame numbering is now 0-based Tyler

@mnmelo
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mnmelo commented Aug 9, 2015

The global selection keyword, proposed in #268, deprecates the fullgroup one, and I thought it'd be good to bundle this change together with the 0.11 breaking changes.

I just submitted PR #394 with the update, and will add a section on the migration guide.

@orbeckst
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Note on deprecations: anything that was deprecated should be changed. A user who has applied all changes in the guide should not see any deprecation warnings any more.

orbeckst added a commit that referenced this issue Sep 5, 2015
Feature merged ten2eleven: migration from 0.10 to 0.11 with MDAnalysis.ten2eleven()

Closes #377.

We still need docs #381 (specifically [Migrating MDAnalysis code with ten2eleven.py](/MDAnalysis/mdanalysis/wiki/Migrating-MDAnalysis-code-with-ten2eleven.py)) but we can tackle this better with `ten2eleven` in place.

I will consider this merge to close #377 even though we have not full resolved `.frames` handling. If anything major comes up, we will re-open #377.
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