aiidateam / qe-tools

A set of useful tools for Quantum ESPRESSO
MIT License
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Remove 'file' input variant in get_structure_from_qeinput. #40

Closed greschd closed 4 years ago

greschd commented 4 years ago

Slipped through the cracks in #33:

To be consistent with the other helper functions, the file input in get_structure_from_qeinput is removed, and text renamed to txt.

I'm not sure if this function is supposed to be "public" or "private": It's not in any __all__ (qeinputparser doesn't even define an __all__ 🙄), but also not hidden behind leading underscores.

greschd commented 4 years ago

The filepath version definitely wasn't tested - the txt probably is, but only indirectly through QeInputFile.