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use jsanitize to serialize dicts/lists of msonables #354

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merged 1 commit into from
Apr 6, 2023
Merged

use jsanitize to serialize dicts/lists of msonables #354

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8 changes: 4 additions & 4 deletions smol/cofe/space/clusterspace.py
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Original file line number Diff line number Diff line change
Expand Up @@ -15,7 +15,7 @@
from importlib import import_module

import numpy as np
from monty.json import MSONable
from monty.json import MSONable, jsanitize
from pymatgen.analysis.structure_matcher import (
OrderDisorderElementComparator,
StructureMatcher,
Expand Down Expand Up @@ -1516,11 +1516,11 @@ def as_dict(self):
"@class": self.__class__.__name__,
"structure": self.structure.as_dict(),
"expansion_structure": self.expansion_structure.as_dict(),
"symops": [so.as_dict() for so in self.symops],
"orbits": {s: [o.as_dict() for o in v] for s, v in self._orbits.items()},
"sc_matcher": self._sc_matcher.as_dict(),
"site_matcher": self._site_matcher.as_dict(),
"external_terms": [et.as_dict() for et in self.external_terms],
"symops": jsanitize(self.symops, strict=True),
"orbits": jsanitize(self._orbits, strict=True),
"external_terms": jsanitize(self.external_terms, strict=True),
"_supercell_orb_inds": _supercell_orb_inds,
}
return cs_dict
Expand Down
4 changes: 2 additions & 2 deletions smol/cofe/wrangling/wrangler.py
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Expand Up @@ -878,8 +878,8 @@ def as_dict(self):
"@module": self.__class__.__module__,
"@class": self.__class__.__name__,
"_subspace": self._subspace.as_dict(),
"_entries": [entry.as_dict() for entry in self._entries],
"_ind_sets": jsanitize(self._ind_sets), # jic for int's
"_entries": jsanitize(self._entries, strict=True),
"_ind_sets": jsanitize(self._ind_sets, strict=True), # jic for int's
"metadata": self.metadata,
}
return wrangler_dict