QoL improvements for IDEs and LSPs #41
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Inheriting from a generic type without specifying the generic fixes the generic to `Any`. This breaks strict type checking and prevents users from specifying the type that a Quantity is wrapping.
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I don't like defining __all__ (I'd ban star imports if I could and it rapidly goes out of sync) but not enough stand in the way of making an IDE happy.
Could you explain _MagnitudeType, perhaps in other language or a with an example? I'm hung up on what "magnitude type" means - is this int vs. float vs numpy.ndarray, etc.? I see bracketed Quantitys and think of the length: FloatQuantity["nanometer"] = Field(..) annotations we have in most of our Pydantic models. IME the data wrapped with units are typically ducky so I have not given this much thought or seen the utility.
I guess the intent here is that you can distinguish Quantity[int] from Quantity[numpy.ndarray]? If so, I see the value in at least distinguishing scalar and matrix values ... would a type checker actually pick up on disobeying the original annotation?
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Agree with you on star imports. I think the way to think about how
Yeah exactly, the magnitude type is the data type wrapped by the quantity, the type you get when you call box_vectors: Quantity[ArrayLike]
formal_charge: Quantity[float]
I would love this feature (though I'd want to specify dimensions and not units. Or both/either I guess), and there is an open issue for it on Pint, but it hasn't seen much attention recently. One day I want to specify types like
It does for Pint quantities, but doesn't seem happy with OpenFF Quantities. This appears to be a problem with the status quo, at least in PyRight. So I guess I jumped the gun on this PR and I need to figure out what's happening there! I'll take another look after I've finished the toolkit showcase PR. Pint quantities work as expected in both pyright and mypy: from openff.units import unit
from pint import Quantity as PintQuantity
from openff.units import Quantity as OpenFFQuantity
from numpy.typing import NDArray
import numpy as np
# Create pint quantities of ints and arrays
pint_quant_int = PintQuantity(1, unit.nanometer)
pint_quant_ary = PintQuantity(np.array([1]), unit.nanometer)
# Assign the above to annotated variables
pint_quant_int_annotated_ary: PintQuantity[NDArray] = pint_quant_int # Should not typecheck
pint_quant_int_annotated_int: PintQuantity[int] = pint_quant_int # Should typecheck
pint_quant_ary_annotated_ary: PintQuantity[NDArray] = pint_quant_ary # Should not typecheck
pint_quant_ary_annotated_int: PintQuantity[int] = pint_quant_ary # should typecheckMyPy: PyRight: But I'm glad you brought this up explicitly because it seems MyPy and PyRight both seem not to like the way type annotations are inherited here: from openff.units import unit
from pint import Quantity as PintQuantity
from openff.units import Quantity as OpenFFQuantity
from numpy.typing import NDArray
import numpy as np
# Same for OpenFF
openff_quant_int = OpenFFQuantity(1, unit.nanometer)
openff_quant_ary = OpenFFQuantity(np.array([1]), unit.nanometer)
openff_quant_int_annotated_ary: OpenFFQuantity[NDArray] = openff_quant_int
openff_quant_int_annotated_int: OpenFFQuantity[int] = openff_quant_int
openff_quant_ary_annotated_ary: OpenFFQuantity[NDArray] = openff_quant_ary
openff_quant_ary_annotated_int: OpenFFQuantity[int] = openff_quant_ary
# Try leaving off the generic
openff_quant_int_annotated_quant: OpenFFQuantity = openff_quant_intMyPy can't seem to find the type annotation on the parent type: PyRight finds the type annotation, but seems not to accept OpenFFQuantity as an instance of PintQuantity, leading to confusing messages (it's also unhappy with the status quo): |
Description
I ran into a few minor barbs working with units in the Toolkit using the PyRight LSP. PyRight includes a type checker that is generally stricter than MyPy and less pedantic than
MyPy --strict, so I love it. This PR fixes those barbs.Todos
Notable points that this PR has either accomplished or will accomplish.
__all__to the exceptions module.Quantitygeneric over its magnitude type.Quantitywas always aQuantity[Any].Status