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Deprecate Timestep as argument for writers #2043

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orbeckst opened this Issue Aug 12, 2018 · 1 comment

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orbeckst commented Aug 12, 2018

As discussed in #206 we want to streamline the trajectory writer interface so that

Writer.write(arg)

only accepts AtomGroup or Universe as arg but not Timestep anymore. (We can't think of a good reason when we would have a Timestep but not an AG.)

  • deprecate the part of base.Writer.write()
    if isinstance(obj, Timestep):
    that can directly take a Timestep
  • check all specific Writers that we don't override
  • add comments that in 1.0 supplying a Timestep will raise a TypeError
  • add tests for all writers that check for the deprecation warning (and can later be turned into tests that check for TypeError)
  • check docs and replace deprecated usage

@orbeckst orbeckst added this to the 0.19.0 milestone Aug 12, 2018

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orbeckst commented Aug 12, 2018

I am adding this to 0.19.0 – but this can be targeted to a 0.19.x later.

@richardjgowers richardjgowers modified the milestones: 0.19.0, 0.19.x Oct 4, 2018

richardjgowers added a commit that referenced this issue Oct 16, 2018

started deprecating Timestep argument to Writers (issue #2043)
identified which Writers can currently use a ts (lots don't anyway)

@richardjgowers richardjgowers referenced this issue Oct 16, 2018

Open

WIP Issue 2043 deprecate ts write #2110

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