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Removal of variant-related definitions#23

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jamesrhester merged 5 commits into
COMCIFS:masterfrom
jamesrhester:no_variant_2
May 14, 2026
Merged

Removal of variant-related definitions#23
jamesrhester merged 5 commits into
COMCIFS:masterfrom
jamesrhester:no_variant_2

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@jamesrhester

@jamesrhester jamesrhester commented May 14, 2026

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The variant category creates a number of problems (e.g. this one and these ones) and is also not incorporated into the main mmCIF dictionary. This PR moves everything related to the variant category into cif_img_variant.dic, and at the same time bases the transformations off a local fork of the DDL2 dictionary.

The formatting of the output is slightly shifted due to improvements in output logic in the CrystalInfoFramework.jl.

James.Hester added 5 commits May 14, 2026 15:27
DDLm version generated from latest local copy of cbf_imgcif_dictionary
together with removal of variant category to cif_img_variant dictionary.
Includes local (COMCIFS) fixes to DDL2 dictionary.
@jamesrhester jamesrhester merged commit ecfa667 into COMCIFS:master May 14, 2026
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@jamesrhester jamesrhester deleted the no_variant_2 branch May 14, 2026 08:29
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2 participants