Add support for single archive files and pymatgen parsers #35
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ml-evs
commented
Sep 22, 2023
|
Just added the extra property def stuff we discussed to this, also had to introduce the concept of property aliases so that user's aren't confined to serving the internal fields with the names used by any given package. Will make a follow-up PR with some testing for the first entry in each example db |
…into a new submodule
…w for the definition of aliases
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This PR adds support for data provided in the form of a single compressed file (e.g., not a tar archive), such as
json.bz2.It also enables parsing of such data with
Structure.from_dict()andComputedStructureEntry.from_dict(). This required a bit of refactoring to enable, as it breaks some assumptions from the simpler one-to-one file -> structure parsers.This code will work but may need some more features but has a few bits to discuss, e.g.,
Closes #33
Closes #30
Closes #37
Closes #38