Comments (11)
I would say after this datreant issue datreant/datreant#100 has been resolved we can go for a 1.0 release. Solving that issue will mean that old sim files need to be changed by the user to still function.
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ping @dotsdl – ready to 🚢 ?
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ping @dotsdl
anything holding this back? The new datreant libraries are shipped and the develop branch is tested well
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@kain88-de only the docs. Hacking on this now.
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Just realized that we have to graft datreant.data.agglimbs.AggData
onto Bundle
and View
, as well as datreant.data.limbs.Data
onto Tree
if we want to maintain the full data
functionality. We do this either with subclassing or monkey-patching to the classes, neither of which is very satisfying to me. I'm tempted to ditch data
entirely, but that's easy for me to say because I don't myself depend on it.
@kain88-de, thoughts? This whole library is a bit of a shim in my view, so I'm not inclined to expend too much effort to keep it all running.
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I thought we have most of the data functionality ported into mdsynthesis by now? The AggData
is to work on a bundle?
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Yeah, AggData
is for Bundle
s (and View
s), while Data
is for Treant
s (and Tree
s). I think what I'll do is subclass Bundle
from datreant
and graft AggData
onto it, then we'll cut our losses and forget trying to get these limbs to work for View
and Tree
, since that takes us down a rabbit hole. Subclassing Bundle
is already well-motivated since we want the MDS Bundle
to handle Sim
s and only Sim
s.
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No worries, I can handle this. I often get stuck in the mud when I know what my needs are (not MDSynthesis), but don't know what users expect to keep working. I'll proceed with the path I laid out, and trim the docs down accordingly.
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I love mdsynthesis; make a 1.0 already! As long as the basics (bundles!) work, people will be happy.
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A 1.0 would be nice – then it's done. conda installs MDS 0.6.1, which seems to be happy with datreant 1.0 – I hope this works...
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Related Issues (20)
- Failing in adding a Universe creates bad state HOT 2
- failed to store DataFrame with column multi-index HOT 4
- One Sim, one Universe: remove multiple Universes functionality HOT 15
- first release HOT 12
- Setting Sim.universe to universe with chain reader doesn't work HOT 1
- Support auxilliaries in Universe definitions HOT 3
- create sim from existing Treant HOT 4
- handle folders with several simulations HOT 2
- The current release doesn't work with MDAnalysis 0.16.0dev HOT 3
- Remove Sim treanttype HOT 3
- Move to MDAnalysis org HOT 9
- Removing all tags/categories HOT 2
- python 3 release? HOT 3
- add conversion script from 0.8 to 1.0 HOT 3
- Error when using sim.tags/sim.categories HOT 3
- So much faster! HOT 1
- Is it possible to store in data or somewhere else files or paths to them? HOT 8
- Two different documentations online? HOT 1
- Order of Treants in a Bundle HOT 3
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