From bd9ebdc1f71b29118c34db69052f01e0b36c36a0 Mon Sep 17 00:00:00 2001 From: Antanas Vaitkus Date: Fri, 16 Feb 2024 01:43:27 +0200 Subject: [PATCH] Restrict the values of _atom_site_moment_Fourier.wave_vector_seq_id (#69) * Restrict the values of _atom_site_moment_Fourier.wave_vector_seq_id. The values were restricted to positive integers since a numeric identifier values is used when constructing various symmform data item values (see `_atom_site_moment_Fourier_param.cos_symmform`, 4th component). --- cif_mag.dic | 14 +++++++++----- 1 file changed, 9 insertions(+), 5 deletions(-) diff --git a/cif_mag.dic b/cif_mag.dic index ebf22ff..10321cd 100644 --- a/cif_mag.dic +++ b/cif_mag.dic @@ -1143,12 +1143,12 @@ save_ save_atom_site_moment_fourier.wave_vector_seq_id _definition.id '_atom_site_moment_Fourier.wave_vector_seq_id' - _definition.update 2016-05-24 + _definition.update 2024-02-07 _description.text ; - An arbitrary code that uniquely identifies the wave vector for - which magnetic Fourier modulation components are to be described - within the ATOM_SITE_MOMENT_FOURIER loop. It must match one of + An arbitrary positive integer code that uniquely identifies the wave vector + for which magnetic Fourier modulation components are to be described within + the ATOM_SITE_MOMENT_FOURIER loop. It must match one of the _atom_site_Fourier_wave_vector.seq_id values in the ATOM_SITE_FOURIER_WAVE_VECTOR loop. @@ -1164,7 +1164,8 @@ save_atom_site_moment_fourier.wave_vector_seq_id _type.purpose Link _type.source Assigned _type.container Single - _type.contents Text + _type.contents Integer + _enumeration.range 1: save_ @@ -4409,4 +4410,7 @@ save_ version 4.1.0. Added evaluation method for _atom_site_Fourier_wave_vector.q3_coeff. + + Restricted the values of _atom_site_moment_Fourier.wave_vector_seq_id + to positive integers. ;