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COMCIFS / TopoCif

Development of the Topology CIF Dictionary
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Placeholder example values in the `TOPOL` category #76

Open vaitkus opened 5 months ago

vaitkus commented 5 months ago

The TOPOL category examples currently contain placeholder values like "[ex 1]", "[ex 2]", etc. which refer to file in the examples folder. Such references are somewhat OK in the context of this repository, but they are most likely loose their meaning when the dictionary is placed on the IUCr webpage (see https://www.iucr.org/__data/iucr/cif/dictionaries/cif_topology_0.9.6.dic). Interestingly enough, the examples are provided in the HTML version of the dictionary (see https://www.iucr.org/__data/iucr/cifdic_html/3/TOPOLOGY_CIF/CTOPOL.html) and in the PDF version of the dictionary, but under a different category (TOPOLOGY instead of TOPOL, see https://www.iucr.org/__data/iucr/cif/dictionaries/cif_topology_0.9.6.dic.pdf).

@BobHanson , @jamesrhester maybe you recall if there were ever plans to properly integrate these (somewhat lengthy) examples into the dictionary itself? Because now it seems that all three formats (dic, html, pdf) are generated from slightly different sources.

jamesrhester commented 5 months ago

@nautolycus, any comment on how we plan to integrate these?

nautolycus commented 5 months ago

The proofs I generated were from a local copy of Topology.dic where I imported the examples using a construct of the type

_import.get
    [{'file':topo_examples.cif  'save':topol_examples}]

It looks like I originally had this in the TOPOLOGY category when generating the PDF, intended as a general set of examples throughout the dictionary, but later moved this into TOPOL following an email exchange with @jamesrhester (2022-09-12), who said: "It makes more sense to import into save_TOPOL. The Head category is really only for technical use."

My internal copy has become out of sync with the GitHub master. I understand most of the differences, but my copy is lacking a couple of categories that I think were removed during the chapter proofreading. I want to confirm that, which I will do when I am back in the office next week. Once I've understood what is going on, I'll set up a pull request to merge my local copy back into the main branch.