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Fix assert error comment.
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rousseab committed Dec 26, 2024
1 parent f335322 commit 4071d3a
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Original file line number Diff line number Diff line change
Expand Up @@ -92,7 +92,8 @@ def _check_batch(self, batch: Dict[AnyStr, torch.Tensor]):
assert (
len(relative_coordinates_shape) == 3
and relative_coordinates_shape[2] == self.spatial_dimension
), "The relative coordinates are expected to be in a tensor of shape [batch_size, number_of_atoms, 3]"
), ("The relative coordinates are expected to be in a tensor of "
"shape [batch_size, number_of_atoms, spatial_dimension]")

assert torch.logical_and(
relative_coordinates >= 0.0, relative_coordinates < 1.0
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