Fix how tests are provided when LOMAP is installed about lomap HOT 5 CLOSED

Since the test files are < 1 MB, I'd vote for Option 1. We should make sure we don't go too large on the package though.

from lomap.

from lomap.

If I remember correctly, a vast majority of our space-consuming files are SDFs. Could we just gzip them? That should make the package tiny.

from lomap.

Could we just gzip them?

I'm not sure how straightforward this would be -- a lot depends on how flexible RDKit file-loading is with types. I'm not opposed to someone doing it, but I don't want it to block the PR on setup.cfg / getting ready for PyPI (which this will be a part of).

from lomap.

Could we just gzip them?

I'm not sure how straightforward this would be -- a lot depends on how flexible RDKit file-loading is with types. I'm not opposed to someone doing it, but I don't want it to block the PR on setup.cfg / getting ready for PyPI (which this will be a part of).

We can do it as a separate thing, but this should work just fine (except maybe Windows, would have to try?):

>>> import gzip
>>> inf = gzip.open('data/actives_5ht3.sdf.gz')
>>> with Chem.ForwardSDMolSupplier(inf) as gzsuppl:
...    ms = [x for x in gzsuppl if x is not None]

from lomap.