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Merged
vaitkus merged 3 commits into from
Apr 20, 2026
Merged

Move to use of enumeration_defaults. #591

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11eef9e
Move to use of enumeration_defaults.
Apr 9, 2026
9a728c1
Merge branch 'master' into move_to_enum_defaults
vaitkus Apr 20, 2026
d208f01
Change update date to 2026-04-20 for modified definitions
vaitkus Apr 20, 2026
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52 changes: 27 additions & 25 deletions cif_core.dic
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Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@ data_CIF_CORE
_dictionary.title CIF_CORE
_dictionary.class Instance
_dictionary.version 3.3.0
_dictionary.date 2026-04-16
_dictionary.date 2026-04-20
_dictionary.uri
https://raw.githubusercontent.com/COMCIFS/cif_core/master/cif_core.dic
_dictionary.ddl_conformance 4.2.0
Expand Down Expand Up @@ -14861,7 +14861,7 @@ save_
save_model_site.display_colour

_definition.id '_model_site.display_colour'
_definition.update 2023-02-06
_definition.update 2026-04-20
_description.text
;
Display colour code assigned to this atom site. Note that the
Expand All @@ -14874,7 +14874,7 @@ save_model_site.display_colour
_type.source Assigned
_type.container Single
_type.contents Word
_enumeration.def_index_id '_model_site.type_symbol'
_enumeration.def_index_ids ['_model_site.type_symbol']

_import.get [
{'file':templ_enum.cif 'save':colour_rgb}
Expand Down Expand Up @@ -25090,7 +25090,7 @@ save_
save_atom_type.atomic_mass

_definition.id '_atom_type.atomic_mass'
_definition.update 2012-11-20
_definition.update 2026-04-20
_description.text
;
Mass of this atom type.
Expand All @@ -25101,7 +25101,7 @@ save_atom_type.atomic_mass
_type.source Assigned
_type.container Single
_type.contents Real
_enumeration.def_index_id '_atom_type.symbol'
_enumeration.def_index_ids ['_atom_type.symbol']

_import.get [{'file':templ_enum.cif 'save':atomic_mass}]

Expand All @@ -25110,7 +25110,7 @@ save_
save_atom_type.atomic_number

_definition.id '_atom_type.atomic_number'
_definition.update 2023-06-01
_definition.update 2026-04-20
_description.text
;
Atomic number of this atom type.
Expand All @@ -25122,7 +25122,7 @@ save_atom_type.atomic_number
_type.container Single
_type.contents Integer
_enumeration.range 1:
_enumeration.def_index_id '_atom_type.element_symbol'
_enumeration.def_index_ids ['_atom_type.element_symbol']

_import.get
[{'file':templ_enum.cif 'save':atomic_number}]
Expand Down Expand Up @@ -25158,7 +25158,7 @@ save_
save_atom_type.display_colour

_definition.id '_atom_type.display_colour'
_definition.update 2023-02-06
_definition.update 2026-04-20
_description.text
;
The display colour assigned to this atom type. Note that the
Expand All @@ -25171,7 +25171,7 @@ save_atom_type.display_colour
_type.source Assigned
_type.container Single
_type.contents Word
_enumeration.def_index_id '_atom_type.symbol'
_enumeration.def_index_ids ['_atom_type.symbol']

_import.get [
{'file':templ_enum.cif 'save':colour_rgb}
Expand All @@ -25183,7 +25183,7 @@ save_
save_atom_type.electron_count

_definition.id '_atom_type.electron_count'
_definition.update 2021-03-01
_definition.update 2026-04-20
_description.text
;
Number of electrons in this atom type.
Expand All @@ -25195,7 +25195,7 @@ save_atom_type.electron_count
_type.container Single
_type.contents Integer
_enumeration.range 1:
_enumeration.def_index_id '_atom_type.symbol'
_enumeration.def_index_ids ['_atom_type.symbol']

_import.get
[{'file':templ_enum.cif 'save':electron_count}]
Expand All @@ -25205,7 +25205,7 @@ save_
save_atom_type.element_symbol

_definition.id '_atom_type.element_symbol'
_definition.update 2021-10-27
_definition.update 2026-04-20
_description.text
;
Element symbol for of this atom type. The default value is extracted
Expand All @@ -25218,7 +25218,7 @@ save_atom_type.element_symbol
_type.source Assigned
_type.container Single
_type.contents Word
_enumeration.def_index_id '_atom_type.symbol'
_enumeration.def_index_ids ['_atom_type.symbol']

_import.get
[
Expand Down Expand Up @@ -25309,7 +25309,7 @@ save_atom_type.radius_bond

_definition.id '_atom_type.radius_bond'
_alias.definition_id '_atom_type_radius_bond'
_definition.update 2012-11-20
_definition.update 2026-04-20
_description.text
;
The effective intra-molecular bonding radius of this atom type.
Expand All @@ -25321,7 +25321,7 @@ save_atom_type.radius_bond
_type.container Single
_type.contents Real
_enumeration.range 0.0:5.0
_enumeration.def_index_id '_atom_type.symbol'
_enumeration.def_index_ids ['_atom_type.symbol']

_import.get [{'file':templ_enum.cif 'save':radius_bond}]

Expand Down Expand Up @@ -25679,7 +25679,7 @@ save_
save_atom_type_scat.dispersion_imag_cu

_definition.id '_atom_type_scat.dispersion_imag_Cu'
_definition.update 2023-06-01
_definition.update 2026-04-20
_description.text
;
The imaginary component of the anomalous dispersion scattering factors
Expand All @@ -25691,7 +25691,7 @@ save_atom_type_scat.dispersion_imag_cu
_type.source Assigned
_type.container Single
_type.contents Real
_enumeration.def_index_id '_atom_type.element_symbol'
_enumeration.def_index_ids ['_atom_type.element_symbol']

_import.get
[{'file':templ_enum.cif 'save':dispersion_imag_cu}]
Expand All @@ -25701,7 +25701,7 @@ save_
save_atom_type_scat.dispersion_imag_mo

_definition.id '_atom_type_scat.dispersion_imag_Mo'
_definition.update 2023-06-01
_definition.update 2026-04-20
_description.text
;
The imaginary component of the anomalous dispersion scattering factors
Expand All @@ -25713,7 +25713,7 @@ save_atom_type_scat.dispersion_imag_mo
_type.source Assigned
_type.container Single
_type.contents Real
_enumeration.def_index_id '_atom_type.element_symbol'
_enumeration.def_index_ids ['_atom_type.element_symbol']

_import.get
[{'file':templ_enum.cif 'save':dispersion_imag_mo}]
Expand Down Expand Up @@ -25758,7 +25758,7 @@ save_
save_atom_type_scat.dispersion_real_cu

_definition.id '_atom_type_scat.dispersion_real_Cu'
_definition.update 2023-06-01
_definition.update 2026-04-20
_description.text
;
The real component of the anomalous dispersion scattering factors
Expand All @@ -25770,7 +25770,7 @@ save_atom_type_scat.dispersion_real_cu
_type.source Assigned
_type.container Single
_type.contents Real
_enumeration.def_index_id '_atom_type.element_symbol'
_enumeration.def_index_ids ['_atom_type.element_symbol']

_import.get
[{'file':templ_enum.cif 'save':dispersion_real_cu}]
Expand All @@ -25780,7 +25780,7 @@ save_
save_atom_type_scat.dispersion_real_mo

_definition.id '_atom_type_scat.dispersion_real_Mo'
_definition.update 2023-06-01
_definition.update 2026-04-20
_description.text
;
The real component of the anomalous dispersion scattering factors
Expand All @@ -25792,7 +25792,7 @@ save_atom_type_scat.dispersion_real_mo
_type.source Assigned
_type.container Single
_type.contents Real
_enumeration.def_index_id '_atom_type.element_symbol'
_enumeration.def_index_ids ['_atom_type.element_symbol']

_import.get
[{'file':templ_enum.cif 'save':dispersion_real_mo}]
Expand Down Expand Up @@ -29007,7 +29007,7 @@ save_
Changed the purpose of the _diffrn_radiation_wavelength.id data item
from 'Encode' to 'Key'.
;
3.3.0 2026-04-16
3.3.0 2026-04-20
;
# Please update the date above and describe the change below until
# ready for the next release
Expand Down Expand Up @@ -29179,6 +29179,8 @@ save_

Added the _dictionary.licensing_SPDX dictionary attribute.

Correct the _name.object_id attribute of _atom_site.fract_symmform
Corrected the _name.object_id attribute of _atom_site.fract_symmform
and _atom_analytical_mass_loss.temperature_su.

Moved to ENUMERATION_DEFAULTS for default values.
;
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