From c9c27f528a08a33b5deea07570c600558e48d779 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Thu, 9 Jul 2026 21:22:43 +0800 Subject: [PATCH 1/5] change to 'save':structure_id_key --- cif_core_multiblock.dic | 28 ++++++---------------------- 1 file changed, 6 insertions(+), 22 deletions(-) diff --git a/cif_core_multiblock.dic b/cif_core_multiblock.dic index e79b39e..2bf3450 100644 --- a/cif_core_multiblock.dic +++ b/cif_core_multiblock.dic @@ -81,19 +81,11 @@ save_ save_atom_sites.structure_id _definition.id '_atom_sites.structure_id' - _definition.update 2026-06-15 - _description.text -; - A code identifying the crystallographic structure associated with this atom - sites description. -; _name.category_id atom_sites _name.object_id structure_id - _name.linked_item_id '_structure.id' - _type.purpose Link - _type.source Assigned - _type.container Single - _type.contents Word + + _import.get + [{'file':templ_attr.cif 'save':structure_id_key}] save_ @@ -344,19 +336,11 @@ save_ save_cell.structure_id _definition.id '_cell.structure_id' - _definition.update 2024-02-05 - _description.text -; - A code identifying the crystallographic structure associated with this cell - description. -; _name.category_id cell _name.object_id structure_id - _name.linked_item_id '_structure.id' - _type.purpose Link - _type.source Assigned - _type.container Single - _type.contents Word + + _import.get + [{'file':templ_attr.cif 'save':structure_id_key}] save_ From 0c21d1a465ef9b6989b755944df170777e32e7e3 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Thu, 9 Jul 2026 21:27:07 +0800 Subject: [PATCH 2/5] change to structure_id_key some more --- cif_core_multiblock.dic | 13 +++---------- 1 file changed, 3 insertions(+), 10 deletions(-) diff --git a/cif_core_multiblock.dic b/cif_core_multiblock.dic index 2bf3450..8666e04 100644 --- a/cif_core_multiblock.dic +++ b/cif_core_multiblock.dic @@ -1465,18 +1465,11 @@ save_ save_atom_site.structure_id _definition.id '_atom_site.structure_id' - _definition.update 2023-10-16 - _description.text -; - A code identifying the structure to which this atom site belongs. -; _name.category_id atom_site _name.object_id structure_id - _name.linked_item_id '_structure.id' - _type.purpose Link - _type.source Assigned - _type.container Single - _type.contents Word + + _import.get + [{'file':templ_attr.cif 'save':structure_id_key}] save_ From 61491ea4f376b7f6b2cec6877fe47fb8afb72edc Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Thu, 9 Jul 2026 21:29:03 +0800 Subject: [PATCH 3/5] change to structure_id_key_no_linked There is a mixture of originally linked to _structure.id and originally linked to _.structure_id. I made them all link to parent. --- cif_core_multiblock.dic | 70 +++++++++++------------------------------ 1 file changed, 19 insertions(+), 51 deletions(-) diff --git a/cif_core_multiblock.dic b/cif_core_multiblock.dic index 8666e04..2fbdda4 100644 --- a/cif_core_multiblock.dic +++ b/cif_core_multiblock.dic @@ -110,19 +110,12 @@ save_ save_atom_sites_cartn_transform.structure_id _definition.id '_atom_sites_Cartn_transform.structure_id' - _definition.update 2026-06-15 - _description.text -; - A code identifying the crystallographic structure associated with this atom - sites Cartesian coordinate transform. -; _name.category_id atom_sites_Cartn_transform _name.object_id structure_id - _name.linked_item_id '_structure.id' - _type.purpose Link - _type.source Assigned - _type.container Single - _type.contents Word + _name.linked_item_id '_atom_sites.structure_id' + + _import.get + [{'file':templ_attr.cif 'save':structure_id_key_no_linked}] save_ @@ -147,19 +140,12 @@ save_ save_atom_sites_fract_transform.structure_id _definition.id '_atom_sites_fract_transform.structure_id' - _definition.update 2026-06-15 - _description.text -; - A code identifying the crystallographic structure associated with this atom - sites fractional coordinate transform. -; _name.category_id atom_sites_fract_transform _name.object_id structure_id - _name.linked_item_id '_structure.id' - _type.purpose Link - _type.source Assigned - _type.container Single - _type.contents Word + _name.linked_item_id '_atom_sites.structure_id' + + _import.get + [{'file':templ_attr.cif 'save':structure_id_key_no_linked}] save_ @@ -408,18 +394,12 @@ save_ save_cell_measurement.structure_id _definition.id '_cell_measurement.structure_id' - _definition.update 2024-02-05 - _description.text -; - A code identifying the structure to which the cell being measured belongs. -; _name.category_id cell_measurement _name.object_id structure_id - _name.linked_item_id '_structure.id' - _type.purpose Link - _type.source Assigned - _type.container Single - _type.contents Word + _name.linked_item_id '_cell.structure_id' + + _import.get + [{'file':templ_attr.cif 'save':structure_id_key_no_linked}] save_ @@ -449,18 +429,12 @@ save_ save_cell_measurement_refln.structure_id _definition.id '_cell_measurement_refln.structure_id' - _definition.update 2023-10-16 - _description.text -; - A code identifying the structure for which the reflections were measured. -; _name.category_id cell_measurement_refln _name.object_id structure_id - _name.linked_item_id '_structure.id' - _type.purpose Link - _type.source Assigned - _type.container Single - _type.contents Word + _name.linked_item_id '_cell_measurement.structure_id' + + _import.get + [{'file':templ_attr.cif 'save':structure_id_key_no_linked}] save_ @@ -1497,18 +1471,12 @@ save_ save_atom_site_aniso.structure_id _definition.id '_atom_site_aniso.structure_id' - _definition.update 2023-10-16 - _description.text -; - A code identifying the structure to which this atom site belongs. -; _name.category_id atom_site_aniso _name.object_id structure_id _name.linked_item_id '_atom_site.structure_id' - _type.purpose Link - _type.source Assigned - _type.container Single - _type.contents Word + + _import.get + [{'file':templ_attr.cif 'save':structure_id_key_no_linked}] save_ From 31ef5e01971df77703deb9b7186dfbc572a0c009 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Fri, 10 Jul 2026 11:57:24 +0800 Subject: [PATCH 4/5] 'no-linked' version should only be used where both parent and child categories are looped. Removed linked_item_id entries from multiple definitions in cif_core_multiblock.dic. --- cif_core_multiblock.dic | 12 ++++-------- 1 file changed, 4 insertions(+), 8 deletions(-) diff --git a/cif_core_multiblock.dic b/cif_core_multiblock.dic index 2fbdda4..0e1555b 100644 --- a/cif_core_multiblock.dic +++ b/cif_core_multiblock.dic @@ -112,10 +112,9 @@ save_atom_sites_cartn_transform.structure_id _definition.id '_atom_sites_Cartn_transform.structure_id' _name.category_id atom_sites_Cartn_transform _name.object_id structure_id - _name.linked_item_id '_atom_sites.structure_id' _import.get - [{'file':templ_attr.cif 'save':structure_id_key_no_linked}] + [{'file':templ_attr.cif 'save':structure_id_key}] save_ @@ -142,10 +141,9 @@ save_atom_sites_fract_transform.structure_id _definition.id '_atom_sites_fract_transform.structure_id' _name.category_id atom_sites_fract_transform _name.object_id structure_id - _name.linked_item_id '_atom_sites.structure_id' _import.get - [{'file':templ_attr.cif 'save':structure_id_key_no_linked}] + [{'file':templ_attr.cif 'save':structure_id_key}] save_ @@ -396,10 +394,9 @@ save_cell_measurement.structure_id _definition.id '_cell_measurement.structure_id' _name.category_id cell_measurement _name.object_id structure_id - _name.linked_item_id '_cell.structure_id' _import.get - [{'file':templ_attr.cif 'save':structure_id_key_no_linked}] + [{'file':templ_attr.cif 'save':structure_id_key}] save_ @@ -431,10 +428,9 @@ save_cell_measurement_refln.structure_id _definition.id '_cell_measurement_refln.structure_id' _name.category_id cell_measurement_refln _name.object_id structure_id - _name.linked_item_id '_cell_measurement.structure_id' _import.get - [{'file':templ_attr.cif 'save':structure_id_key_no_linked}] + [{'file':templ_attr.cif 'save':structure_id_key}] save_ From 519154d7b4705bb1cab369e5c96715149ebb3f00 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Fri, 10 Jul 2026 19:47:25 +0800 Subject: [PATCH 5/5] Update dictionary date to 2026-07-08 --- cif_core_multiblock.dic | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/cif_core_multiblock.dic b/cif_core_multiblock.dic index 0e1555b..e82cfbb 100644 --- a/cif_core_multiblock.dic +++ b/cif_core_multiblock.dic @@ -11,7 +11,7 @@ data_CIF_CORE_MULTIBLOCK _dictionary.title CIF_CORE_MULTIBLOCK _dictionary.class Instance _dictionary.version 1.1.1-dev - _dictionary.date 2026-07-01 + _dictionary.date 2026-07-08 _dictionary.uri ;\ https://raw.githubusercontent.com/COMCIFS/cif_core_multiblock/main/\ @@ -1523,8 +1523,10 @@ save_ Renamed dictionary to CIF_CORE_MULTIBLOCK and adjusted the head category name accordingly. ; - 1.1.1-dev 2026-07-01 + 1.1.1-dev 2026-07-08 ; # Add update summary below and change date above until ready for # release. + + Altered *.structure_id save frames to use imported saveframe. ;