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The type annotation on the geometries on the attribute of the InputMoleculeSpec states Optional[List[Geometry]], however the @validator("geometries", pre=True) decorating the convert_xyz_to_geometry method has logic that converts the input
geometries to Geometry objects assuming the input as a list of file paths (geometries = [Geometry(xyz=xyz) for xyz in geometries]).
I encountered this issue running the following code:
The type annotation on the geometries on the attribute of the InputMoleculeSpec states
Optional[List[Geometry]]
, however the@validator("geometries", pre=True)
decorating the convert_xyz_to_geometry method has logic that converts the inputgeometries to
Geometry
objects assuming the input as a list of file paths (geometries = [Geometry(xyz=xyz) for xyz in geometries]
).I encountered this issue running the following code:
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