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Replace 'restr_label' imports with 'atom_site_id' imports #13

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Merged
nautolycus merged 1 commit into from
Jan 23, 2026
Merged

Replace 'restr_label' imports with 'atom_site_id' imports #13

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54 changes: 28 additions & 26 deletions cif_rstr.dic
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Original file line number Diff line number Diff line change
Expand Up @@ -15,7 +15,7 @@ data_CIF_RSTR
_dictionary.title CIF_RSTR
_dictionary.class Instance
_dictionary.version 3.1.1
_dictionary.date 2026-01-19
_dictionary.date 2026-01-23
_dictionary.uri
;\
https://raw.githubusercontent.com/COMCIFS/Restraints_Dictionary/main/\
Expand Down Expand Up @@ -166,7 +166,7 @@ save_restr_angle.atom_site_label_1
_name.category_id restr_angle
_name.object_id atom_site_label_1

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

save_

Expand All @@ -177,7 +177,7 @@ save_restr_angle.atom_site_label_2
_name.category_id restr_angle
_name.object_id atom_site_label_2

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

save_

Expand All @@ -188,7 +188,7 @@ save_restr_angle.atom_site_label_3
_name.category_id restr_angle
_name.object_id atom_site_label_3

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

save_

Expand Down Expand Up @@ -342,7 +342,7 @@ save_restr_distance.atom_site_label_1
_name.category_id restr_distance
_name.object_id atom_site_label_1

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

save_

Expand All @@ -353,7 +353,7 @@ save_restr_distance.atom_site_label_2
_name.category_id restr_distance
_name.object_id atom_site_label_2

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

save_

Expand Down Expand Up @@ -530,7 +530,7 @@ save_restr_distance_min.atom_site_label_1
_name.category_id restr_distance_min
_name.object_id atom_site_label_1

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

save_

Expand All @@ -541,7 +541,7 @@ save_restr_distance_min.atom_site_label_2
_name.category_id restr_distance_min
_name.object_id atom_site_label_2

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

save_

Expand Down Expand Up @@ -757,7 +757,7 @@ save_restr_equal_angle.atom_site_label_1
_name.category_id restr_equal_angle
_name.object_id atom_site_label_1

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

save_

Expand All @@ -768,7 +768,7 @@ save_restr_equal_angle.atom_site_label_2
_name.category_id restr_equal_angle
_name.object_id atom_site_label_2

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

save_

Expand All @@ -779,7 +779,7 @@ save_restr_equal_angle.atom_site_label_3
_name.category_id restr_equal_angle
_name.object_id atom_site_label_3

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

save_

Expand Down Expand Up @@ -1036,7 +1036,7 @@ save_restr_equal_distance.atom_site_label_1
_name.category_id restr_equal_distance
_name.object_id atom_site_label_1

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

save_

Expand All @@ -1047,7 +1047,7 @@ save_restr_equal_distance.atom_site_label_2
_name.category_id restr_equal_distance
_name.object_id atom_site_label_2

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

save_

Expand Down Expand Up @@ -1300,7 +1300,7 @@ save_restr_equal_torsion.atom_site_label_1
_name.category_id restr_equal_torsion
_name.object_id atom_site_label_1

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

save_

Expand All @@ -1311,7 +1311,7 @@ save_restr_equal_torsion.atom_site_label_2
_name.category_id restr_equal_torsion
_name.object_id atom_site_label_2

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

save_

Expand All @@ -1322,7 +1322,7 @@ save_restr_equal_torsion.atom_site_label_3
_name.category_id restr_equal_torsion
_name.object_id atom_site_label_3

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

save_

Expand All @@ -1333,7 +1333,7 @@ save_restr_equal_torsion.atom_site_label_4
_name.category_id restr_equal_torsion
_name.object_id atom_site_label_4

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

save_

Expand Down Expand Up @@ -2328,7 +2328,7 @@ save_restr_torsion.atom_site_label_1
_name.category_id restr_torsion
_name.object_id atom_site_label_1

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

save_

Expand All @@ -2339,7 +2339,7 @@ save_restr_torsion.atom_site_label_2
_name.category_id restr_torsion
_name.object_id atom_site_label_2

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

save_

Expand All @@ -2350,7 +2350,7 @@ save_restr_torsion.atom_site_label_3
_name.category_id restr_torsion
_name.object_id atom_site_label_3

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

save_

Expand All @@ -2361,7 +2361,7 @@ save_restr_torsion.atom_site_label_4
_name.category_id restr_torsion
_name.object_id atom_site_label_4

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

save_

Expand Down Expand Up @@ -2568,7 +2568,7 @@ save_restr_u_rigid.atom_site_label_1
_name.category_id restr_u_rigid
_name.object_id atom_site_label_1

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

save_

Expand All @@ -2579,7 +2579,7 @@ save_restr_u_rigid.atom_site_label_2
_name.category_id restr_u_rigid
_name.object_id atom_site_label_2

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

save_

Expand Down Expand Up @@ -2724,7 +2724,7 @@ save_restr_u_similar.atom_site_label_1
_name.category_id restr_u_similar
_name.object_id atom_site_label_1

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

save_

Expand All @@ -2735,7 +2735,7 @@ save_restr_u_similar.atom_site_label_2
_name.category_id restr_u_similar
_name.object_id atom_site_label_2

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

save_

Expand Down Expand Up @@ -2801,7 +2801,7 @@ save_
Initial CIF2 version created from STAR2 version provided by Syd Hall
(J Hester)
;
3.1.1 2026-01-19
3.1.1 2026-01-23
;
Fixed a CIF2 syntax error.

Expand All @@ -2824,4 +2824,6 @@ save_
clarified the interpretation of the enumeration details in
_restr_parameter_class.parameter_type (e.g. 'atom_site.occupancy'
-> 'Value of _atom_site.occupancy'). (bm)

2026-01-23: Replaced 'restr_label' imports with 'atom_site_id' imports.
;