[h5md-user] Tuples and topology, the return

[Pierre de Buyl]

Hi all,

Following http://thread.gmane.org/gmane.science.simulation.h5md.user/590 and the
ensuing discussion, I modified my proposal.

1. a module "tuple", defining n-tuples
2. a module "topology", similar to the previous proposal but made more precise.

They can be found at http://pdebuyl.be/tmp/h5md/modules/index.html
(note, it is just a temporary working version)

The idea is that "tuple" would be included somehow in the main specification so
that it can serve as the basis to further functionality. A specific topology
module remains needed to provide the link to particle groups, etc. It would
remain a module.

If tuple goes into the specification, topology would refer to it do avoid
repetition.

I've put TODO items in each module:
Tuples
1. Provide a way link unambiguously to a particle group.
2. Require that tuple data is found at least for every step of the particle
   position data.
I don't know if "1" can be solved generically (it could be solved only when a
specific situation is defined). "2" is indeed very related :-)

Topology
- Build on top of pdebuyl_tuples.

All in all, I've tried to separate (fully on the basis of the aforementioned
thread) the container and content :-)
With respect to the discussion, I've dropped the dimension attribute (it is
redundant w r t the dataset shape) and also the type attribute.
Additional attributes are always allowed but they should not be required (they
can be added in the related module).

The names are currently "pdebuyl_tuples" and "pdebuyl_topology" to avoid any
possible confusion if they get included later on with the versions that I put
online.

P