Update definitions of arbitrary id data items.

COMCIFS / magnetic_dic

Development of the magnetic CIF dictionary

0 stars 4 forks source link

Update definitions of arbitrary id data items. #50

Closed vaitkus closed 7 months ago

vaitkus commented 11 months ago

This PR updates id definitions so they match those in the CIF_CORE dictionary.

Note, that in some cases the assigned source values differ from the default ones, therefore this might conflict with PR https://github.com/COMCIFS/magnetic_dic/pull/46.

jamesrhester commented 11 months ago

I'm going to guess that existing code has not taken advantage of the freedom offered by the "Text" type and so we can restrict to "Word" type. I would prefer that we bundle these small changes into an email that @brantonc can send to the relevant software authors to double-check that they have no issues.

vaitkus commented 11 months ago

Ok, so this particular change can be summarised as:

The following identifier data items would no longer be allowed to have ASCII whitespaces in their values:

_atom_site_moment_Fourier.id
_atom_site_moment_Fourier_param.id
_parent_propagation_vector.id
_space_group_magn_ssg_transforms.id
_space_group_magn_transforms.id
_space_group_symop_magn_centering.id
_space_group_symop_magn_og_centering.id
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_operation.id

brantonc commented 7 months ago

I support this change. I'm not aware of any software authors for whom this would be a problem.