Closed SimonEnsemble closed 4 years ago
I made a new branch p1_error_information
and I moved the assertion message onto the last line of the check, this fixed it so it properly displays the message now. I can copy over the info on P1 conversion from the docs to the message.
I noticed when I was trying to replicate the error that there isn't a check that the file supplies a symmetry system, should we add this in?
gives an uninformative error message:
can we change to something like "PorousMaterials.jl does not currently support .cif files not in P1 symmetry. Convert your .cif to P1 symmetry using..." and point them to a resource (is it open babel you use @Surluson ?)