fix(dpa-adapt): resolve pre-commit ruff errors and descriptor hook accumulator - #48
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…k accumulator Add type annotations across the dpa_adapt library (ANN), replace print() with logging in example scripts (T201), annotate mutable class defaults with ClassVar (RUF012), replace legacy np.random.rand with Generator API (NPY002), escape regex metacharacters in pytest match patterns (RUF043), fix implicit Optional annotations (RUF013), ambiguous unicode (RUF002), zip() strict= (B905), docstring formatting (D301/D400), dict() → literal (C408), and TC003 import placement. Also fix _DescriptorExtraction._resolve_descriptor_hook_model to prefer atomic_model over dp_model. dp_model delegates set_eval_descriptor_hook and eval_descriptor to atomic_model but lacks the eval_descriptor_list attribute, so _clear_accumulator was a no-op. Descriptors from systems with different atom counts accumulated across forward passes, causing torch.concat to fail with "Expected size 5 but got size 4".
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Add type annotations across the dpa_adapt library (ANN), replace print() with logging in example scripts (T201), annotate mutable class defaults with ClassVar (RUF012), replace legacy np.random.rand with Generator API (NPY002), escape regex metacharacters in pytest match patterns (RUF043), fix implicit Optional annotations (RUF013), ambiguous unicode (RUF002), zip() strict= (B905), docstring formatting (D301/D400), dict() → literal (C408), and TC003 import placement.
Also fix _DescriptorExtraction._resolve_descriptor_hook_model to prefer atomic_model over dp_model. dp_model delegates set_eval_descriptor_hook and eval_descriptor to atomic_model but lacks the eval_descriptor_list attribute, so _clear_accumulator was a no-op. Descriptors from systems with different atom counts accumulated across forward passes, causing torch.concat to fail with "Expected size 5 but got size 4".