Change to enumeration_defaults for default indexing.#8
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jamesrhester wants to merge 1 commit intoCOMCIFS:mainfrom
Open
Change to enumeration_defaults for default indexing.#8jamesrhester wants to merge 1 commit intoCOMCIFS:mainfrom
jamesrhester wants to merge 1 commit intoCOMCIFS:mainfrom
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In DDL 4.2, enumeration_default was deprecated in favour of enumeration_defaults, which allows multiple data names to be used to index into default value lists. The first use case for this is neutron scattering lengths, which depend on atomic number and isotope, but these values are not corrected in this PR. A companion change to the cif_core dictionary to use enumeration.def_index_ids is also necessary.
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Similarly to COMCIFS/Attribute_Templates#6, before merging this PR I would like to preemptively test the dictionary checking software used in GitHub actions. Hopefully, I will manage to to that over the weekend. Also, it would be nice to first merge PR #5 as it introduces some automated consistency checks (syntax mostly). |
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In DDL 4.2,
enumeration_defaultwas deprecated in favour ofenumeration_defaults, which allows multiple data names to be used to index into default value lists. The first use case for this is neutron scattering lengths, which depend on atomic number and isotope. Neutron scattering length values are not corrected in this PR.A companion change to the cif_core dictionary to use
enumeration.def_index_idsis also necessary.This PR fixes #6 .