diff --git a/src/diffcalc_API/models/ub.py b/src/diffcalc_API/models/ub.py index 27b6cb2..7fbb842 100644 --- a/src/diffcalc_API/models/ub.py +++ b/src/diffcalc_API/models/ub.py @@ -25,6 +25,7 @@ class PositionModel(BaseModel): class SetLatticeParams(BaseModel): + name: Optional[str] = None system: Optional[str] = None a: Optional[float] = None b: Optional[float] = None diff --git a/src/diffcalc_API/services/ub.py b/src/diffcalc_API/services/ub.py index 162c4d3..9e55d33 100644 --- a/src/diffcalc_API/services/ub.py +++ b/src/diffcalc_API/services/ub.py @@ -188,7 +188,11 @@ async def set_lattice( ) -> None: hklcalc = await store.load(name, collection) - hklcalc.ubcalc.set_lattice(name=name, **params.dict()) + input_params = params.dict() + crystal_name = name if not params.name else params.name + input_params.pop("name") + + hklcalc.ubcalc.set_lattice(name=crystal_name, **input_params) await store.save(name, hklcalc, collection)