ornlneutronimaging/braggedgemodeling

Document bem.matter completely or provide pointers to diffpy documentation

Closed this issue · 3 comments

Hi,

in the API documentation, bem.matter is not fully documented.
Specifically, Atom and Lattice are not documented outside of the tutorial at all, and Structure is documented with the single sentence a wrapper for Structure method that injects “sg” data member, which is not very helpful.

Please enhance the API documentation to include all parts of bem.matter which end-users are expected to use and with the information relevant to end users. Since most of bem.matter is only a very thin wrapper around diffpy, you could probably also include links to the relevant diffpy documentation instead of duplicating it.

Cheers

Mika

yxqd commented

The bem.matter.loadCif is the API intended to be used by an end-user for any real interesting materials, since in most cases a cif file is available from the user, or from a crystallography database. The Structure class is mostly for demonstration purpose and for advanced users. I will make this clear and add refs to diffpy doc. The only API we really want to expose to users is just those in the atomic-structure API section.

yxqd commented

Looks good, thanks!