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Restrict *_Fourier_wave_vector.seq_id data items to positive integers #22

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Restrict *_Fourier_wave_vector.seq_id data items to positive integers #22

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ca49095
Restrict *_Fourier_wave_vector.seq_id data items to positive integers.
vaitkus Feb 15, 2024
079b0f4
Merge branch 'main' into update-vector-seq-id-enumeration-range
vaitkus May 19, 2024
19a738f
Merge branch 'main' into update-vector-seq-id-enumeration-range
vaitkus May 20, 2024
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43 changes: 25 additions & 18 deletions cif_ms.dic
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Original file line number Diff line number Diff line change
Expand Up @@ -24,7 +24,7 @@ data_CIF_MS
_dictionary.formalism Modulated
_dictionary.class Instance
_dictionary.version 3.2.1
_dictionary.date 2024-05-17
_dictionary.date 2024-05-20
_dictionary.uri http://www.iucr.org/cif/dic/cif_ms.dic
_dictionary.ddl_conformance 3.13.1
_dictionary.namespace ModStruct
Expand Down Expand Up @@ -326,7 +326,7 @@ save_
save_atom_site_displace_Fourier.wave_vector_seq_id

_definition.id '_atom_site_displace_Fourier.wave_vector_seq_id'
_definition.update 2014-06-27
_definition.update 2024-05-20
loop_
_alias.definition_id
'_atom_site_displace_Fourier_wave_vector_seq_id'
Expand All @@ -346,7 +346,8 @@ save_atom_site_displace_Fourier.wave_vector_seq_id
_type.purpose Link
_type.source Related
_type.container Single
_type.contents Code
_type.contents Integer
_enumeration.range 1:

save_

Expand Down Expand Up @@ -2056,7 +2057,7 @@ save_
save_atom_site_Fourier_wave_vector.seq_id

_definition.id '_atom_site_Fourier_wave_vector.seq_id'
_definition.update 2019-09-25
_definition.update 2024-05-20
loop_
_alias.definition_id
'_atom_site_Fourier_wave_vector_seq_id'
Expand All @@ -2072,7 +2073,7 @@ save_atom_site_Fourier_wave_vector.seq_id
_type.source Related
_type.container Single
_type.contents Integer
_enumeration.range 0:
_enumeration.range 1:
_enumeration.default 1

save_
Expand Down Expand Up @@ -2909,7 +2910,7 @@ save_
save_atom_site_occ_Fourier.wave_vector_seq_id

_definition.id '_atom_site_occ_Fourier.wave_vector_seq_id'
_definition.update 2014-06-27
_definition.update 2024-05-20
loop_
_alias.definition_id
'_atom_site_occ_Fourier_wave_vector_seq_id'
Expand All @@ -2927,7 +2928,8 @@ save_atom_site_occ_Fourier.wave_vector_seq_id
_type.purpose Link
_type.source Related
_type.container Single
_type.contents Code
_type.contents Integer
_enumeration.range 1:

save_

Expand Down Expand Up @@ -4123,7 +4125,7 @@ save_
save_atom_site_rot_Fourier.wave_vector_seq_id

_definition.id '_atom_site_rot_Fourier.wave_vector_seq_id'
_definition.update 2014-06-27
_definition.update 2024-05-20
loop_
_alias.definition_id
'_atom_site_rot_Fourier_wave_vector_seq_id'
Expand All @@ -4141,7 +4143,8 @@ save_atom_site_rot_Fourier.wave_vector_seq_id
_type.purpose Link
_type.source Related
_type.container Single
_type.contents Code
_type.contents Integer
_enumeration.range 1:

save_

Expand Down Expand Up @@ -5840,7 +5843,7 @@ save_
save_atom_site_U_Fourier.wave_vector_seq_id

_definition.id '_atom_site_U_Fourier.wave_vector_seq_id'
_definition.update 2014-06-27
_definition.update 2024-05-20
loop_
_alias.definition_id
'_atom_site_U_Fourier_wave_vector_seq_id'
Expand All @@ -5858,7 +5861,8 @@ save_atom_site_U_Fourier.wave_vector_seq_id
_type.purpose Link
_type.source Related
_type.container Single
_type.contents Code
_type.contents Integer
_enumeration.range 1:

save_

Expand Down Expand Up @@ -7546,7 +7550,7 @@ save_
save_atom_sites_ortho.wave_vector_seq_id

_definition.id '_atom_sites_ortho.wave_vector_seq_id'
_definition.update 2019-09-25
_definition.update 2024-05-20
_description.text
;

Expand All @@ -7561,15 +7565,15 @@ save_atom_sites_ortho.wave_vector_seq_id
_type.source Related
_type.container Single
_type.contents Integer
_enumeration.range 0:
_enumeration.default 0
_enumeration.range 1:
_enumeration.default 1

save_

save_atom_sites_ortho.wave_vector_seq_id_list

_definition.id '_atom_sites_ortho.wave_vector_seq_id_list'
_definition.update 2019-09-25
_definition.update 2024-05-20
_description.text
;

Expand All @@ -7585,8 +7589,8 @@ save_atom_sites_ortho.wave_vector_seq_id_list
_type.container List
_type.contents Integer
_type.dimension '[]'
_enumeration.range 0:
_enumeration.default [0]
_enumeration.range 1:
_enumeration.default [1]

save_

Expand Down Expand Up @@ -12858,7 +12862,7 @@ loop_
Returned all additional indices to main dictionary, removed category_id
from templates(James Hester)
;
3.2.1 2024-05-17
3.2.1 2024-05-20
;
Corrected a typo in the definition of the _geom_torsion.angle data item.

Expand All @@ -12869,4 +12873,7 @@ loop_
category name.

Renamed the head category from 'MS_GROUP' to 'CIF_MS_HEAD'.

Restricted the values of _atom_site_Fourier_wave_vector.seq_id and linked
data items to positive integers.
;