Closed SimonEnsemble closed 6 years ago
The first line of a .cif file written by write_cif(framework, filename) writes as its first line _data_xtalname_PM, PM for PorousMaterials.jl.
.cif
write_cif(framework, filename)
_data_xtalname_PM
PM
PorousMaterials.jl
I removed the file extension to avoid problems with dots.
The split("")[1] gives error because it is trying to call entry 1 of a 0-D array so I handle this case separately.
split("")[1]
The first line of a
.ciffile written bywrite_cif(framework, filename)writes as its first line_data_xtalname_PM,PMforPorousMaterials.jl.I removed the file extension to avoid problems with dots.
The
split("")[1]gives error because it is trying to call entry 1 of a 0-D array so I handle this case separately.