Open rowlesmr opened 1 year ago
Going through just this first bit showed how many block_id data items we don't have; everything with a phase/diffractogram_id needs a phase/diffractogram block id, and we currently don't have them.
Needs #92 and #93 merged before it can go through fully.
This is done now.
See #56 for more discussion.
Regarding some of those deprecations, as we haven't had a formal release of the dictionary containing some of these items it would be OK to simply remove them, I think.
I did just plain up remove a bunch. AFAIK the ones that are deprecated existed previously in one form or another.
The block_id-related data items that are deprecated are
_pd_block.id
_pd_block_diffractogram.id
_pd_calib_std.external_block_id
_pd_phase_block.id
I believe that if this gets merged, we should consider going to v3.0.0 -- it's a pretty big change in how pdCIF files talk between blocks. phse_id and diffractogram_id, and no block_id.
Just showing what it might look like.
Starting by removing block_id-related data items from new categories.
This will end by deprecating
PD_BLOCK
,PD_BLOCK_DIFFRACTOGRAM
, andPD_PHASE_BLOCK
. (can entire categories be deprecated?, I know individual data items can be...)Needs #92 and #93 merged before it can go through fully.