search

COMCIFS / magnetic_dic

Development of the magnetic CIF dictionary
0 stars 4 forks source link

_atom_site_moment_Fourier.id could be synthetically constructed #10

Closed jamesrhester closed 8 years ago

jamesrhester commented 8 years ago

As done in the core_cif dictionary, this id component could be explicitly constructed from the other key columns. DDLm and dREL as currently constructed then require that the order in which the keys appear is specified.

jamesrhester commented 8 years ago

After discussion with Branton, decided to check the way this is done in the msCIF dictionary.

jamesrhester commented 8 years ago

ms_CIF draft DDLm dictionary (see atom_site_displace_Fourier.id) doesn't synthesize this value in any way. No need to pursue this further. Also, I suspect a future approach to dREL and DDLm will reduce the importance of single id values.