Slightly more robust MSONAtoms handling
#3869
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Broader context: This PR basically impacts nobody and is just a marginally safer way to index the `MSONAtoms` info key in the output dictionary. Technical details: As noted by @samblau, if for some reason your `MSONAtoms.as_dict()` representation no longer has an `atoms_info` key, then doing `MSONAtoms.from_dict()` will crash. In virtually all cases, the user will have an `atoms_info` key, but it's pretty trivial to fix this by doing `.get(dct["atoms_info"], {})` instead of `dct["atoms_info"]`, so I've done that here. Signed-off-by: Andrew S. Rosen <asrosen93@gmail.com>
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Will re-open if needed. |
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how come it's no longer needed? seems like a sensible change |
janosh
added
ase
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Feel free to merge. I was indifferent. |
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i guess i'm still missing something. if it avoids an error that occurred in practice for @samblau, it's a keeper, no? |
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I only encountered this error because I was dealing with task docs from an older version of QuAcc... this shouldn't be a common scenario. But it still seems better to have it than not. |
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Broader context: This PR basically impacts nobody and is just a marginally safer way to index the
MSONAtomsinfo key when parsing the dictionary representation.Technical details: As noted by @samblau, if for some reason your
MSONAtoms.as_dict()representation no longer has anatoms_infokey, then doingMSONAtoms.from_dict()will crash. In virtually all cases, the user will have anatoms_infokey, but it's pretty trivial to fix this by doing.get(dct["atoms_info"], {})instead ofdct["atoms_info"], so I've done that here.