From 11eef9e9e619427b235305a6089941977f83b61c Mon Sep 17 00:00:00 2001 From: "James.Hester" Date: Thu, 9 Apr 2026 15:04:03 +1000 Subject: [PATCH 1/2] Move to use of enumeration_defaults. DDL 4.2 defines enumeration_defaults to replace enumeration_default for indexing into default value tables. This means that the datanames for indexing are now indicated by _enumeration_defaults.def_index_ids. --- cif_core.dic | 50 ++++++++++++++++++++++++++------------------------ 1 file changed, 26 insertions(+), 24 deletions(-) diff --git a/cif_core.dic b/cif_core.dic index 06505ee..97d0c69 100644 --- a/cif_core.dic +++ b/cif_core.dic @@ -11,7 +11,7 @@ data_CIF_CORE _dictionary.title CIF_CORE _dictionary.class Instance _dictionary.version 3.3.0 - _dictionary.date 2026-02-26 + _dictionary.date 2026-04-09 _dictionary.uri https://raw.githubusercontent.com/COMCIFS/cif_core/master/cif_core.dic _dictionary.ddl_conformance 4.2.0 @@ -14861,7 +14861,7 @@ save_ save_model_site.display_colour _definition.id '_model_site.display_colour' - _definition.update 2023-02-06 + _definition.update 2026-04-09 _description.text ; Display colour code assigned to this atom site. Note that the @@ -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} @@ -25090,7 +25090,7 @@ save_ save_atom_type.atomic_mass _definition.id '_atom_type.atomic_mass' - _definition.update 2012-11-20 + _definition.update 2026-04-09 _description.text ; Mass of this atom type. @@ -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}] @@ -25110,7 +25110,7 @@ save_ save_atom_type.atomic_number _definition.id '_atom_type.atomic_number' - _definition.update 2023-06-01 + _definition.update 2026-04-09 _description.text ; Atomic number of this atom type. @@ -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}] @@ -25158,7 +25158,7 @@ save_ save_atom_type.display_colour _definition.id '_atom_type.display_colour' - _definition.update 2023-02-06 + _definition.update 2026-04-09 _description.text ; The display colour assigned to this atom type. Note that the @@ -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} @@ -25183,7 +25183,7 @@ save_ save_atom_type.electron_count _definition.id '_atom_type.electron_count' - _definition.update 2021-03-01 + _definition.update 2026-04-09 _description.text ; Number of electrons in this atom type. @@ -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}] @@ -25205,7 +25205,7 @@ save_ save_atom_type.element_symbol _definition.id '_atom_type.element_symbol' - _definition.update 2021-10-27 + _definition.update 2026-04-09 _description.text ; Element symbol for of this atom type. The default value is extracted @@ -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 [ @@ -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 2026-04-09 _description.text ; The effective intra-molecular bonding radius of this atom type. @@ -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}] @@ -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 2026-04-09 _description.text ; The imaginary component of the anomalous dispersion scattering factors @@ -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}] @@ -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 2026-04-09 _description.text ; The imaginary component of the anomalous dispersion scattering factors @@ -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}] @@ -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 2026-04-09 _description.text ; The real component of the anomalous dispersion scattering factors @@ -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}] @@ -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 2026-04-09 _description.text ; The real component of the anomalous dispersion scattering factors @@ -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}] @@ -29007,7 +29007,7 @@ save_ Changed the purpose of the _diffrn_radiation_wavelength.id data item from 'Encode' to 'Key'. ; - 3.3.0 2026-02-26 + 3.3.0 2026-04-09 ; # Please update the date above and describe the change below until # ready for the next release @@ -29178,4 +29178,6 @@ save_ Add data item for PaNET experimental method identifier. Added the _dictionary.licensing_SPDX dictionary attribute. + + Move to enumeration_defaults for default values ; From d208f01a494b1fb65fc6cb5235f6f9df5ab26902 Mon Sep 17 00:00:00 2001 From: Antanas Vaitkus Date: Mon, 20 Apr 2026 14:41:28 +0300 Subject: [PATCH 2/2] Change update date to 2026-04-20 for modified definitions --- cif_core.dic | 22 +++++++++++----------- 1 file changed, 11 insertions(+), 11 deletions(-) diff --git a/cif_core.dic b/cif_core.dic index 81bc196..228cb8a 100644 --- a/cif_core.dic +++ b/cif_core.dic @@ -14861,7 +14861,7 @@ save_ save_model_site.display_colour _definition.id '_model_site.display_colour' - _definition.update 2026-04-09 + _definition.update 2026-04-20 _description.text ; Display colour code assigned to this atom site. Note that the @@ -25090,7 +25090,7 @@ save_ save_atom_type.atomic_mass _definition.id '_atom_type.atomic_mass' - _definition.update 2026-04-09 + _definition.update 2026-04-20 _description.text ; Mass of this atom type. @@ -25110,7 +25110,7 @@ save_ save_atom_type.atomic_number _definition.id '_atom_type.atomic_number' - _definition.update 2026-04-09 + _definition.update 2026-04-20 _description.text ; Atomic number of this atom type. @@ -25158,7 +25158,7 @@ save_ save_atom_type.display_colour _definition.id '_atom_type.display_colour' - _definition.update 2026-04-09 + _definition.update 2026-04-20 _description.text ; The display colour assigned to this atom type. Note that the @@ -25183,7 +25183,7 @@ save_ save_atom_type.electron_count _definition.id '_atom_type.electron_count' - _definition.update 2026-04-09 + _definition.update 2026-04-20 _description.text ; Number of electrons in this atom type. @@ -25205,7 +25205,7 @@ save_ save_atom_type.element_symbol _definition.id '_atom_type.element_symbol' - _definition.update 2026-04-09 + _definition.update 2026-04-20 _description.text ; Element symbol for of this atom type. The default value is extracted @@ -25309,7 +25309,7 @@ save_atom_type.radius_bond _definition.id '_atom_type.radius_bond' _alias.definition_id '_atom_type_radius_bond' - _definition.update 2026-04-09 + _definition.update 2026-04-20 _description.text ; The effective intra-molecular bonding radius of this atom type. @@ -25679,7 +25679,7 @@ save_ save_atom_type_scat.dispersion_imag_cu _definition.id '_atom_type_scat.dispersion_imag_Cu' - _definition.update 2026-04-09 + _definition.update 2026-04-20 _description.text ; The imaginary component of the anomalous dispersion scattering factors @@ -25701,7 +25701,7 @@ save_ save_atom_type_scat.dispersion_imag_mo _definition.id '_atom_type_scat.dispersion_imag_Mo' - _definition.update 2026-04-09 + _definition.update 2026-04-20 _description.text ; The imaginary component of the anomalous dispersion scattering factors @@ -25758,7 +25758,7 @@ save_ save_atom_type_scat.dispersion_real_cu _definition.id '_atom_type_scat.dispersion_real_Cu' - _definition.update 2026-04-09 + _definition.update 2026-04-20 _description.text ; The real component of the anomalous dispersion scattering factors @@ -25780,7 +25780,7 @@ save_ save_atom_type_scat.dispersion_real_mo _definition.id '_atom_type_scat.dispersion_real_Mo' - _definition.update 2026-04-09 + _definition.update 2026-04-20 _description.text ; The real component of the anomalous dispersion scattering factors