Should the _atom_sites_moment_Fourier.axes_description be deprecated in favour of ATOM_SITES_AXES?

[vaitkus]

The description of the _atom_sites_moment_Fourier.axes_description data item notes, that this data item is analogous to the _atom_sites_displace_Fourier.axes_description and _atom_sites_rot_Fourier.axes_description data items from the msCIF dictionary [1]. However, both of these names are now marked as deprecated in that dictionary in favour of the ATOM_SITES_AXES category. If I understand correctly, it seems that this category allows to list one or more transformation matrices (the _atom_sites_axes.matrix data item) optionally paired with the human-readable description of the transformation (the _atom_sites_axes.transf_description data item). Maybe the _atom_sites_moment_Fourier.axes_description item should also be deprecated in a similar way?

[1] https://github.com/COMCIFS/Modulated_Structures

[brantonc]

I introduced _atom_sites_moment_Fourier.axes_description as a parallel to the preexisting _atom_sites_displace_Fourier.axes_description. I have never used this tag and do not understand its purpose. Thus, I have no opinion on how you handle it. From: Antanas Vaitkus ***@***.***> Sent: Monday, March 18, 2024 6:52 AM To: COMCIFS/magnetic_dic ***@***.***> Cc: Subscribed ***@***.***> Subject: [COMCIFS/magnetic_dic] Should the `_atom_sites_moment_Fourier.axes_description` be deprecated in favour of `ATOM_SITES_AXES`? (Issue #80) The description of the _atom_sites_moment_Fourier.axes_description data item notes, that this data item is analogous to the _atom_sites_displace_Fourier.axes_description and _atom_sites_rot_Fourier.axes_description data items from the msCIF dictionary [1]. However, both of these names are now marked as deprecated in that dictionary in favour of the ATOM_SITES_AXES category. If I understand correctly, it seems that this category allows to list one or more transformation matrices (the _atom_sites_axes.matrix data item) optionally paired with the human-readable description of the transformation (the _atom_sites_axes.transf_description data item). Maybe the _atom_sites_moment_Fourier.axes_description item should also be deprecated in a similar way? [1] https://github.com/COMCIFS/Modulated_Structures — Reply to this email directly, view it on GitHub<#80>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/ACZAIQU7SWQKPFVL4YPHNP3YY3PPHAVCNFSM6AAAAABE3QYJ2SVHI2DSMVQWIX3LMV43ASLTON2WKOZSGE4TEMJSGIZTEOA>. You are receiving this because you are subscribed to this thread.Message ID: ***@***.******@***.***>>

[jamesrhester]

Given Branton's comment I agree that we should harmonise with the msCIF approach.