search

COMCIFS / cif_core

The IUCr CIF core dictionary
14 stars 9 forks source link

Added _database_code.BIncStrDB. #486

Closed nautolycus closed 3 months ago

nautolycus commented 3 months ago

This follows a request by Gotzon Madariaga: "it would improve the interoperability among other databases and also enhance the visibility of the database, calling the attention of publishers to contact us". Note that the Database formally uses the abbreviation B-IncStrDB ( which I have given in the description), but I have used an object_id without a hyphen (to minimise confusion between hyphens and underscores). I'm open to being persuaded that having two forms of the abbreviation in the dictionary might cause more confusion. I've also added in _alias.definition_id values in case @vaitkus thinks it useful to add these to the legacy core dictionary (this could be beneficial for people currently working in the CIF1/DDL1 world).

vaitkus commented 3 months ago

@nautolycus I tried to address the main points that you raised in separate review comments to keep things slightly more organised.

One additional thing that I would recommend is to add B-IncStrDB to the list of databases in the save_database_list save frame of the templ_enum.cif file. This way it will become available for cross-linking via the _database_related.database_id data item.

nautolycus commented 3 months ago

@vaitkus Thanks for your careful review (and advice). I'm consulting with Gotzon as to whether he is happy to have the hyphen-less abbreviation in the tags (and _enumeration_set.state for _database_related.database_id), and will revise accordingly.

nautolycus commented 3 months ago

Yes, Gotzon Madariaga is one of the maintainers and an author of the commentary chapter in Volume G. The current draft of that has a note that they are moving away from the "Incommensurate" term in the title of the database, but retaining the B-IncStrDB abbreviation for historical reasons. I have just prompted him to consider changing the title on the database web pages :)

vaitkus commented 3 months ago

Great, no reason not to merge then. Thanks!