This PR reflects an old change in the data model, where material identifiers become attributes instead of a list of subnodes. #434
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Merging to
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InnocentBug
commented
Mar 8, 2024
| # TODO add proper typing in future, using Any for now to avoid circular import error | ||
| component: List["Material"] = field(default_factory=list) | ||
| process: Optional[Process] = None | ||
| property: List[Any] = field(default_factory=list) | ||
| parent_material: Optional["Material"] = None | ||
| computational_forcefield: Optional[Any] = None | ||
| keyword: List[str] = field(default_factory=list) | ||
| amino_acid: Optional[str] = None |
InnocentBug
commented
Mar 8, 2024
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| @classmethod | ||
| @beartype | ||
| def _from_json(cls, json_dict: Dict): |
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With the change, we can delete all of this complication.
duboyal
approved these changes
Mar 11, 2024
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Description
This removes the indentifier from Materials.
And instead offers each individual identifier as an attribute.
This is maybe a breaking change, but it reflects the updated data model much better.
And simplifies the code.
Changes
Known Issues
Notes
Checklist
CONTRIBUTORS.md) in the pull request source branch.