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Uppercase category names in comments #639

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Merged
vaitkus merged 2 commits into from
Jul 22, 2026
Merged

Uppercase category names in comments #639

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757e892
Uppercase category names
vaitkus Jul 22, 2026
c3997f5
Add missing leading underscore
vaitkus Jul 22, 2026
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26 changes: 13 additions & 13 deletions cif_core.dic
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Original file line number Diff line number Diff line change
Expand Up @@ -4864,7 +4864,7 @@ save_diffrn_refln.wavelength_id
_definition.update 2021-10-27
_description.text
;
Code identifying the wavelength in the diffrn_radiation_wavelength list.
Code identifying the wavelength in the DIFFRN_RADIATION_WAVELENGTH list.
;
_name.category_id diffrn_refln
_name.object_id wavelength_id
Expand Down Expand Up @@ -9919,7 +9919,7 @@ save_CHEMICAL_CONN_ATOM
the molecular species. They allow a 2D chemical diagram to be
reconstructed for use in a publication or in a database search
for structural and substructural relationships. In particular,
the chemical_conn_atom data items provide information about the
the CHEMICAL_CONN_ATOM data items provide information about the
chemical properties of the atoms in the structure. In cases
where crystallographic and molecular symmetry elements coincide
they must also contain symmetry-generated atoms, so as to describe
Expand Down Expand Up @@ -10023,9 +10023,9 @@ save_chemical_conn_atom.nh
;
Total number of hydrogen atoms attached to this atom,
regardless of whether they are included in the refinement or
the atom_site list. This number will be the same as
the ATOM_SITE list. This number will be the same as
_atom_site.attached_hydrogens only if none of the hydrogen
atoms appear in the atom_site list.
atoms appear in the ATOM_SITE list.
;
_name.category_id chemical_conn_atom
_name.object_id NH
Expand Down Expand Up @@ -10086,7 +10086,7 @@ save_CHEMICAL_CONN_BOND
_description.text
;
The category of data items which specify the connections between
the atoms sites in the chemical_conn_atom list and the nature
the atoms sites in the CHEMICAL_CONN_ATOM list and the nature
of the chemical bond between these atoms. These are details about
the two-dimensional (2D) chemical structure of the molecular species.
They allow a 2D chemical diagram to be reconstructed for use in a
Expand Down Expand Up @@ -10315,10 +10315,10 @@ save_chemical_formula.iupac
;
Formula expressed in conformance with IUPAC rules for inorganic
and metal-organic compounds where these conflict with the rules
for any other chemical_formula entries. Typically used for
for any other CHEMICAL_FORMULA entries. Typically used for
formatting a formula in accordance with journal rules. This
should appear in the data block in addition to the most
appropriate of the other chemical_formula data names.
appropriate of the other CHEMICAL_FORMULA data names.
Ref: IUPAC (1990). Nomenclature of Inorganic Chemistry.
Oxford: Blackwell Scientific Publications.
;
Expand Down Expand Up @@ -29468,12 +29468,12 @@ save_
_citation_id added to key list of citation_author (James Hester).
_diffrn.crystal_id removed as diffrn is Set category. Changed
EXPTL_CRYSTAL to Set type in keeping with current use patterns.
Removed all child keys of exptl_crystal_id.
Removed all child keys of _exptl_crystal_id.
;
3.0.7 2017-06-10
;
Added and deprecated symmetry.cell_setting. Removed rhombohedral
option from dREL method for space_group.crystal_system. (James Hester)
Added and deprecated _symmetry.cell_setting. Removed rhombohedral
option from dREL method for _space_group.crystal_system. (James Hester)
;
3.0.8 2017-09-23
;
Expand All @@ -29493,9 +29493,9 @@ save_
3.0.11 2019-09-25
;
Removed the _chemical_conn_bond.distance_su data item.
Changed the purpose of the diffrn_radiation_wavelength.value data item
Changed the purpose of the _diffrn_radiation_wavelength.value data item
from 'Number' to 'Measurand'. Added the
diffrn_radiation_wavelength.value_su data item.
_diffrn_radiation_wavelength.value_su data item.

Replaced all instances of the _definition.replaced_by data item with
data items from the DEFINITION_REPLACED category.
Expand All @@ -29510,7 +29510,7 @@ save_
_valence_param_atom_2, _valence_param_ref_id, _atom_site_aniso.label
and _atom_type_scat.symbol data items. Removed the _name.linked_item_id
data item from the definitions of the _diffrn_scale_group.code and
diffrn_standard_refln.code data items.
_diffrn_standard_refln.code data items.

Updated the definitions of the _geom_hbond.angle_DHA and
_geom_hbond.angle_DHA_su data items.
Expand Down