error during importing crystal structure

SimonEnsemble / PorousMaterials.jl

Julia package towards classical molecular modeling of nanoporous materials

GNU General Public License v3.0

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error during importing crystal structure #49

Closed mtap-research closed 6 years ago

mtap-research commented 6 years ago

I am getting the following error while importing a CIF file.

julia> framework = Framework("FIQCEN_clean_min_charges.cif") ERROR: MethodError: Cannot convert an object of type String to an object of type PorousMaterials.Framework This may have arisen from a call to the constructor PorousMaterials.Framework(...), since type constructors fall back to convert methods. Stacktrace: [1] PorousMaterials.Framework(::String) at ./sysimg.jl:77

SimonEnsemble commented 6 years ago

@gregchung are you on the master branch? read_crystal_structure_file is not available right? read_ then hit tab for tab completion to see if it is there.

mtap-research commented 6 years ago

@SimonEnsemble I was using Julia-0.6.3 and after upgrading to 0.6.4 and installing dependencies, I am able to import the structures!