make a 1.0 release? about mdsynthesis HOT 11 OPEN

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.

from mdsynthesis.

ping @dotsdl – ready to 🚢 ?

from mdsynthesis.

ping @dotsdl

anything holding this back? The new datreant libraries are shipped and the develop branch is tested well

from mdsynthesis.

@kain88-de only the docs. Hacking on this now.

from mdsynthesis.

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.

from mdsynthesis.

I thought we have most of the data functionality ported into mdsynthesis by now? The AggData is to work on a bundle?

from mdsynthesis.

Yeah, AggData is for Bundles (and Views), while Data is for Treants (and Trees). 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 Sims and only Sims.

from mdsynthesis.

from mdsynthesis.

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.

from mdsynthesis.

I love mdsynthesis; make a 1.0 already! As long as the basics (bundles!) work, people will be happy.

from mdsynthesis.

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...

from mdsynthesis.