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case setup docstrings
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arturtoshev committed Aug 19, 2023
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19 changes: 18 additions & 1 deletion lagrangebench/case_setup/case.py
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@dataclass
class CaseSetupFn:
"""Dataclass that contains all functions required to setup the case and simulate."""
"""Dataclass that contains all functions required to setup the case and simulate.
Attributes:
allocate: AllocateFn, runs the preprocessing without having a NeighborList as
input.
preprocess: PreprocessFn, takes positions from the dataloader, computes
velocities, adds random-walk noise if needed, then updates the neighbor
list, and return the inputs to the neural network as well as the targets.
allocate_eval: AllocateEvalFn, same as allocate, but without noise addition
and without targets.
preprocess_eval: PreprocessEvalFn, same as allocate_eval, but jit-able.
integrate: IntegrateFn, semi-implicit Euler integrations step respecting
all boundary conditions.
displacement: space.DisplacementFn, displacement function aware of boundary
conditions (periodic on non-periodic).
normalization_stats: Dict, normalization statisticss for input velocities and
output acceleration.
"""

allocate: AllocateFn = static_field()
preprocess: PreprocessFn = static_field()
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