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change to 'save':structure_id_key #65

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Merged
rowlesmr merged 5 commits into from
Jul 10, 2026
+28 −85
Merged

change to 'save':structure_id_key #65

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c9c27f5
change to 'save':structure_id_key
rowlesmr Jul 9, 2026
0c21d1a
change to structure_id_key some more
rowlesmr Jul 9, 2026
61491ea
change to structure_id_key_no_linked
rowlesmr Jul 9, 2026
31ef5e0
'no-linked' version should only be used where both parent and child c…
rowlesmr Jul 10, 2026
519154d
Update dictionary date to 2026-07-08
rowlesmr Jul 10, 2026
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113 changes: 28 additions & 85 deletions cif_core_multiblock.dic
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Original file line number Diff line number Diff line change
Expand Up @@ -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/\
Expand Down Expand Up @@ -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_

Expand All @@ -118,19 +110,11 @@ 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

_import.get
[{'file':templ_attr.cif 'save':structure_id_key}]

save_

Expand All @@ -155,19 +139,11 @@ 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

_import.get
[{'file':templ_attr.cif 'save':structure_id_key}]

save_

Expand Down Expand Up @@ -344,19 +320,11 @@ 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_

Expand Down Expand Up @@ -424,18 +392,11 @@ 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

_import.get
[{'file':templ_attr.cif 'save':structure_id_key}]

save_

Expand Down Expand Up @@ -465,18 +426,11 @@ 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

_import.get
[{'file':templ_attr.cif 'save':structure_id_key}]

save_

Expand Down Expand Up @@ -1481,18 +1435,11 @@ 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_

Expand Down Expand Up @@ -1520,18 +1467,12 @@ 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_

Expand Down Expand Up @@ -1582,8 +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.
;