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Update dictionary and head save frame names #83

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merged 2 commits into from
May 20, 2024
Merged

Update dictionary and head save frame names #83

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8d29e1f
Update dictionary and head save frame names.
vaitkus May 17, 2024
9fc0ff2
Merge branch 'main' into update-dictionary-name
jamesrhester May 20, 2024
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77 changes: 41 additions & 36 deletions cif_mag.dic
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Original file line number Diff line number Diff line change
Expand Up @@ -5,9 +5,9 @@
# #
######################################################################

data_MAGNETIC_CIF
data_CIF_MAG

_dictionary.title MAGNETIC_CIF
_dictionary.title CIF_MAG
_dictionary.class Instance
_dictionary.version 0.9.9
_dictionary.date 2024-05-17
Expand All @@ -21,19 +21,20 @@ data_MAGNETIC_CIF
It defines datanames for describing magnetic structures.
;

save_MAGNETIC
save_CIF_MAG_HEAD

_definition.id MAGNETIC
_definition.id CIF_MAG_HEAD
_definition.scope Category
_definition.class Head
_definition.update 2024-05-17
_description.text
;
This category is the parent of all categories in the dictionary.
Head categories from other dictionaries are reparented to this category.
The CIF_MAG_HEAD category is the top-level category for all categories
in the CIF_MAG dictionary. Head categories from other dictionaries are
reparented to this category.
;
_name.category_id MAGNETIC_CIF
_name.object_id MAGNETIC
_name.category_id CIF_MAG
_name.object_id CIF_MAG_HEAD

_import.get
[{'dupl':Ignore 'file':cif_ms.dic 'mode':Full 'save':CIF_MS_HEAD}]
Expand All @@ -45,15 +46,15 @@ save_ATOM_SITE_FOURIER_WAVE_VECTOR
_definition.id ATOM_SITE_FOURIER_WAVE_VECTOR
_definition.scope Category
_definition.class Loop
_definition.update 2016-05-24
_definition.update 2024-05-17
_description.text
;
Data items in the ATOM_SITE_FOURIER_WAVE_VECTOR category record
details about the wave vectors of the Fourier terms used in the
structural model. This category is fully defined in the modulated
structures dictionary.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id ATOM_SITE_FOURIER_WAVE_VECTOR
_category_key.name '_atom_site_Fourier_wave_vector.seq_id'

Expand Down Expand Up @@ -1481,7 +1482,7 @@ save_ATOM_SITE_MOMENT_FOURIER
_definition.id ATOM_SITE_MOMENT_FOURIER
_definition.scope Category
_definition.class Loop
_definition.update 2016-05-24
_definition.update 2024-05-17
_description.text
;
Data items in the ATOM_SITE_MOMENT_FOURIER category record
Expand All @@ -1491,7 +1492,7 @@ save_ATOM_SITE_MOMENT_FOURIER
child category ATOM_SITE_MOMENT_FOURIER_PARAM, which may be
listed separately.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id ATOM_SITE_MOMENT_FOURIER
_category_key.name '_atom_site_moment_Fourier.id'

Expand Down Expand Up @@ -2176,7 +2177,7 @@ save_ATOM_SITE_MOMENT_SPECIAL_FUNC
_definition.id ATOM_SITE_MOMENT_SPECIAL_FUNC
_definition.scope Category
_definition.class Loop
_definition.update 2016-05-24
_definition.update 2024-05-17
_description.text
;
Data items in the ATOM_SITE_MOMENT_SPECIAL_FUNC category record
Expand All @@ -2202,7 +2203,7 @@ save_ATOM_SITE_MOMENT_SPECIAL_FUNC
Analogous tags: msCIF:_atom_site_displace_special_func.*,
msCIF:_atom_site_occ_special_func.*
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id ATOM_SITE_MOMENT_SPECIAL_FUNC
_category_key.name
'_atom_site_moment_special_func.atom_site_label'
Expand Down Expand Up @@ -2546,7 +2547,7 @@ save_ATOM_SITES_MOMENT_FOURIER
_definition.id ATOM_SITES_MOMENT_FOURIER
_definition.scope Category
_definition.class Set
_definition.update 2016-05-24
_definition.update 2024-05-17
_description.text
;
Data items in the ATOM_SITES_MOMENT_FOURIER category record
Expand All @@ -2559,7 +2560,7 @@ save_ATOM_SITES_MOMENT_FOURIER
msCIF:_atom_sites_rot_Fourier.*, msCIF:_atom_sites_occ_Fourier.*,
msCIF:_atom_sites_U_Fourier.*.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id ATOM_SITES_MOMENT_FOURIER

save_
Expand Down Expand Up @@ -3216,7 +3217,7 @@ save_PARENT_PROPAGATION_VECTOR
_definition.id PARENT_PROPAGATION_VECTOR
_definition.scope Category
_definition.class Loop
_definition.update 2016-06-09
_definition.update 2024-05-17
_description.text
;
This looped category allows for the presentation of the
Expand All @@ -3225,7 +3226,7 @@ save_PARENT_PROPAGATION_VECTOR
magnetic wave vector. See the PARENT_SPACE_GROUP category for
more information about parent space groups.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id PARENT_PROPAGATION_VECTOR
_category_key.name '_parent_propagation_vector.id'
_description_example.case
Expand Down Expand Up @@ -3282,7 +3283,7 @@ save_PARENT_SPACE_GROUP
_definition.id PARENT_SPACE_GROUP
_definition.scope Category
_definition.class Set
_definition.update 2016-06-09
_definition.update 2024-05-17
_description.text
;
This category provides information about the space group and
Expand All @@ -3303,7 +3304,7 @@ save_PARENT_SPACE_GROUP

Analogous tags: none.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id PARENT_SPACE_GROUP

save_
Expand Down Expand Up @@ -3420,7 +3421,7 @@ save_SPACE_GROUP_MAGN
_definition.id SPACE_GROUP_MAGN
_definition.scope Category
_definition.class Set
_definition.update 2023-09-13
_definition.update 2024-05-17
_description.text
;
The data items in this category provide identifying and/or
Expand Down Expand Up @@ -3458,7 +3459,7 @@ save_SPACE_GROUP_MAGN
https://www.iucr.org/publ/978-0-9553602-2-0.
ISO-MAG tables of H. T. Stokes and B. J. Campbell at https://iso.byu.edu.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id SPACE_GROUP_MAGN

save_
Expand Down Expand Up @@ -4214,7 +4215,7 @@ save_SPACE_GROUP_MAGN_SSG_TRANSFORMS
_definition.id SPACE_GROUP_MAGN_SSG_TRANSFORMS
_definition.scope Category
_definition.class Loop
_definition.update 2016-06-09
_definition.update 2024-05-17
_description.text
;
This loop provides a list of matrix transformations to one or
Expand All @@ -4227,7 +4228,7 @@ save_SPACE_GROUP_MAGN_SSG_TRANSFORMS
Analogous tags: transform loops have not yet been approved in
other dictionaries.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id SPACE_GROUP_MAGN_SSG_TRANSFORMS
_category_key.name '_space_group_magn_ssg_transforms.id'

Expand Down Expand Up @@ -4372,7 +4373,7 @@ save_SPACE_GROUP_MAGN_TRANSFORMS
_definition.id SPACE_GROUP_MAGN_TRANSFORMS
_definition.scope Category
_definition.class Loop
_definition.update 2016-06-09
_definition.update 2024-05-17
_description.text
;
This category provides a list of matrix transformations to multiple
Expand All @@ -4381,7 +4382,7 @@ save_SPACE_GROUP_MAGN_TRANSFORMS
loop is particularly helpful for a magnetic space group, which
often have several reference settings of interest.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id SPACE_GROUP_MAGN_TRANSFORMS
_category_key.name '_space_group_magn_transforms.id'
_description_example.case
Expand Down Expand Up @@ -4568,7 +4569,7 @@ save_SPACE_GROUP_SYMOP_MAGN_CENTERING
_definition.id SPACE_GROUP_SYMOP_MAGN_CENTERING
_definition.scope Category
_definition.class Loop
_definition.update 2016-05-24
_definition.update 2024-05-17
_description.text
;
This loop provides a list of centering or anti-centering
Expand Down Expand Up @@ -4599,7 +4600,7 @@ save_SPACE_GROUP_SYMOP_MAGN_CENTERING
practice of referring to a "black and white" lattice of
centerings and anti-centerings.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id SPACE_GROUP_SYMOP_MAGN_CENTERING
_category_key.name '_space_group_symop_magn_centering.id'
_description_example.case
Expand Down Expand Up @@ -4690,7 +4691,7 @@ save_SPACE_GROUP_SYMOP_MAGN_OG_CENTERING
_definition.id SPACE_GROUP_SYMOP_MAGN_OG_CENTERING
_definition.scope Category
_definition.class Loop
_definition.update 2016-05-24
_definition.update 2024-05-17
_description.text
;
This loop provides a list of centering translations in an
Expand All @@ -4711,7 +4712,7 @@ save_SPACE_GROUP_SYMOP_MAGN_OG_CENTERING
only representative point operations remain in the main
SPACE_GROUP_SYMOP_MAGN_OPERATION loop.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id SPACE_GROUP_SYMOP_MAGN_OG_CENTERING
_category_key.name '_space_group_symop_magn_OG_centering.id'

Expand Down Expand Up @@ -4797,12 +4798,12 @@ save_SPACE_GROUP_SYMOP_MAGN_OPERATION
_definition.id SPACE_GROUP_SYMOP_MAGN_OPERATION
_definition.scope Category
_definition.class Loop
_definition.update 2016-05-24
_definition.update 2024-05-17
_description.text
;
A list of magnetic space-group symmetry operations.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id SPACE_GROUP_SYMOP_MAGN_OPERATION
_category_key.name '_space_group_symop_magn_operation.id'

Expand Down Expand Up @@ -4916,13 +4917,13 @@ save_SPACE_GROUP_SYMOP_MAGN_SSG_CENTERING
_definition.id SPACE_GROUP_SYMOP_MAGN_SSG_CENTERING
_definition.scope Category
_definition.class Loop
_definition.update 2016-05-24
_definition.update 2024-05-17
_description.text
;
This loop provides a list of the centering and anti-centering
translations of a magnetic superspace group.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id SPACE_GROUP_SYMOP_MAGN_SSG_CENTERING
_category_key.name '_space_group_symop_magn_ssg_centering.id'

Expand Down Expand Up @@ -5013,14 +5014,14 @@ save_SPACE_GROUP_SYMOP_MAGN_SSG_OPERATION
_definition.id SPACE_GROUP_SYMOP_MAGN_SSG_OPERATION
_definition.scope Category
_definition.class Loop
_definition.update 2016-05-24
_definition.update 2024-05-17
_description.text
;
A looped list of magnetic superspace-group symmetry operations.

Analogous tags: msCIF:_space_group_symop.ssg_*.
;
_name.category_id MAGNETIC
_name.category_id CIF_MAG_HEAD
_name.object_id SPACE_GROUP_SYMOP_MAGN_SSG_OPERATION
_category_key.name '_space_group_symop_magn_ssg_operation.id'

Expand Down Expand Up @@ -5197,6 +5198,10 @@ save_

2024-04-03 (bm): Added *_su terms for Measurand quantities.

Renamed the dictionary from 'MAGNETIC_CIF' to 'CIF_MAG'.
Renamed the head category from 'MAGNETIC' to 'CIF_MAG_HEAD'.

Updated the CIF_MS dictionary import statement with the new head
category name.

;
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