lars
e5bf7c51cb
- energy_simplex_encode: warn when clipping post_E to pre_E discards recorded edep/e_sec instead of silently zeroing them - local/inv_local_frame_rotation: validate and normalize pre_dir instead of silently assuming unit norm; raise on near-zero-norm rows - train(): make --lr authoritative on resume instead of being silently overwritten by the checkpoint's optimizer/scheduler state; print and exit cleanly instead of silently training zero epochs when the checkpoint already meets --epochs; truncate metrics.csv on a fresh run instead of always appending - dwarf update-manifest: check file existence for every manifest line, not just ones whose gen/schema actually changed - pyproject.toml: dev extra now pulls in convert+analysis so the documented `uv sync --extra cpu --extra dev` + `pytest` actually passes collection Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
206 lines
8.4 KiB
Python
206 lines
8.4 KiB
Python
import numpy as np
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import pytest
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from giant.data.transforms import (
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energy_simplex_decode,
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energy_simplex_encode,
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inv_local_frame_rotation,
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inv_log_transform,
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local_frame_rotation,
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log_transform,
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Normalizer,
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reconstruct_post_pos,
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travel_direction,
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)
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def test_log_transform_invertible():
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x = np.array([0.1, 1.0, 10.0, 1000.0], dtype=np.float32)
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np.testing.assert_allclose(inv_log_transform(log_transform(x)), x, rtol=1e-5)
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def test_local_frame_rotation_noop_when_aligned():
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N = 8
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pre_dir = np.tile([0.0, 0.0, 1.0], (N, 1)).astype(np.float32)
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rng = np.random.default_rng(0)
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post_dir = rng.standard_normal((N, 3)).astype(np.float32)
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post_dir /= np.linalg.norm(post_dir, axis=1, keepdims=True)
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result = local_frame_rotation(pre_dir, post_dir)
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np.testing.assert_allclose(result, post_dir, atol=1e-5)
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def test_local_frame_rotation_preserves_angle():
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"""Angle between pre_dir and post_dir must equal angle between ẑ and rotated."""
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rng = np.random.default_rng(1)
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N = 200
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pre_dir = rng.standard_normal((N, 3)).astype(np.float32)
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pre_dir /= np.linalg.norm(pre_dir, axis=1, keepdims=True)
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post_dir = rng.standard_normal((N, 3)).astype(np.float32)
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post_dir /= np.linalg.norm(post_dir, axis=1, keepdims=True)
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rotated = local_frame_rotation(pre_dir, post_dir)
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cos_before = (pre_dir * post_dir).sum(axis=1)
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cos_after = rotated[:, 2] # dot with ẑ = z-component (unit vectors)
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np.testing.assert_allclose(cos_after, cos_before, atol=1e-5)
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def test_local_frame_rotation_preserves_norm():
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rng = np.random.default_rng(2)
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N = 100
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pre_dir = rng.standard_normal((N, 3)).astype(np.float32)
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pre_dir /= np.linalg.norm(pre_dir, axis=1, keepdims=True)
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post_dir = rng.standard_normal((N, 3)).astype(np.float32)
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post_dir /= np.linalg.norm(post_dir, axis=1, keepdims=True)
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result = local_frame_rotation(pre_dir, post_dir)
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np.testing.assert_allclose(np.linalg.norm(result, axis=1), 1.0, atol=1e-5)
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def test_local_frame_rotation_rejects_near_zero_pre_dir():
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"""A degenerate (near-zero-norm) pre_dir has no well-defined frame — must
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raise instead of silently falling back to an arbitrary rotation axis."""
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pre_dir = np.array([[0.0, 0.0, 0.0], [0.0, 0.0, 1.0]], dtype=np.float32)
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post_dir = np.array([[1.0, 0.0, 0.0], [0.0, 1.0, 0.0]], dtype=np.float32)
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with pytest.raises(ValueError, match="near-zero norm"):
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local_frame_rotation(pre_dir, post_dir)
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with pytest.raises(ValueError, match="near-zero norm"):
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inv_local_frame_rotation(pre_dir, post_dir)
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def test_local_frame_rotation_normalizes_non_unit_pre_dir():
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"""A pre_dir with float32-drift norm (not exactly 1) must still produce the
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same result as its exactly-normalized counterpart, not a skewed frame."""
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rng = np.random.default_rng(9)
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N = 50
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pre_dir_unit = rng.standard_normal((N, 3)).astype(np.float32)
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pre_dir_unit /= np.linalg.norm(pre_dir_unit, axis=1, keepdims=True)
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post_dir = rng.standard_normal((N, 3)).astype(np.float32)
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post_dir /= np.linalg.norm(post_dir, axis=1, keepdims=True)
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pre_dir_scaled = pre_dir_unit * rng.uniform(0.9, 1.1, size=(N, 1)).astype(
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np.float32
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)
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expected = local_frame_rotation(pre_dir_unit, post_dir)
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result = local_frame_rotation(pre_dir_scaled, post_dir)
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np.testing.assert_allclose(result, expected, atol=1e-4)
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def test_travel_direction_is_unit_norm():
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rng = np.random.default_rng(5)
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N = 50
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pre_pos = rng.standard_normal((N, 3)).astype(np.float32)
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post_pos = pre_pos + rng.standard_normal((N, 3)).astype(np.float32)
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result = travel_direction(pre_pos, post_pos)
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np.testing.assert_allclose(np.linalg.norm(result, axis=1), 1.0, atol=1e-5)
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def test_travel_direction_matches_normalized_displacement():
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rng = np.random.default_rng(6)
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N = 50
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pre_pos = rng.standard_normal((N, 3)).astype(np.float32)
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disp = rng.standard_normal((N, 3)).astype(np.float32)
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post_pos = pre_pos + disp
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expected = disp / np.linalg.norm(disp, axis=1, keepdims=True)
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np.testing.assert_allclose(travel_direction(pre_pos, post_pos), expected, atol=1e-5)
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def test_reconstruct_post_pos_straight_line():
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"""When post_pos = pre_pos + L * pre_dir, travel_dir equals pre_dir, so its
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local-frame encoding is ẑ — reconstruction must recover post_pos exactly."""
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rng = np.random.default_rng(7)
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N = 20
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pre_pos = rng.standard_normal((N, 3)).astype(np.float32)
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pre_dir = rng.standard_normal((N, 3)).astype(np.float32)
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pre_dir /= np.linalg.norm(pre_dir, axis=1, keepdims=True)
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step_length = rng.uniform(0.1, 5.0, size=N).astype(np.float32)
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post_pos = pre_pos + step_length[:, None] * pre_dir
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travel_dir_local = local_frame_rotation(
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pre_dir, travel_direction(pre_pos, post_pos)
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)
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np.testing.assert_allclose(travel_dir_local, np.tile([0, 0, 1], (N, 1)), atol=1e-4)
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reconstructed = reconstruct_post_pos(
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pre_pos, pre_dir, step_length, travel_dir_local
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)
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np.testing.assert_allclose(reconstructed, post_pos, atol=1e-4)
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def test_reconstruct_post_pos_general_roundtrip():
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"""Full encode (build_features-style) -> decode (cli.py predict-style) path."""
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rng = np.random.default_rng(8)
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N = 100
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pre_pos = rng.standard_normal((N, 3)).astype(np.float32)
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pre_dir = rng.standard_normal((N, 3)).astype(np.float32)
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pre_dir /= np.linalg.norm(pre_dir, axis=1, keepdims=True)
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post_pos = pre_pos + rng.standard_normal((N, 3)).astype(np.float32)
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step_length = np.linalg.norm(post_pos - pre_pos, axis=1).astype(np.float32)
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travel_dir_local = local_frame_rotation(
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pre_dir, travel_direction(pre_pos, post_pos)
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)
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reconstructed = reconstruct_post_pos(
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pre_pos, pre_dir, step_length, travel_dir_local
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)
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np.testing.assert_allclose(reconstructed, post_pos, atol=1e-4)
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def test_energy_simplex_conservation():
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"""Decoding any ALR coords yields energies that sum to pre_E exactly."""
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rng = np.random.default_rng(11)
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N = 500
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z = rng.standard_normal((N, 2)).astype(np.float32) * 3.0
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pre_E = rng.uniform(1.0, 100.0, N).astype(np.float32)
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edep, e_sec, post_E, delta_e = energy_simplex_decode(z, pre_E)
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np.testing.assert_allclose(edep + e_sec + post_E, pre_E, rtol=1e-5, atol=1e-4)
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np.testing.assert_allclose(delta_e, edep + e_sec, rtol=1e-5, atol=1e-4)
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assert np.all(edep >= 0) and np.all(e_sec >= 0) and np.all(post_E >= 0)
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def test_energy_simplex_roundtrip():
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"""Encode → decode recovers energies whose lost part already sums to delta_e."""
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rng = np.random.default_rng(12)
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N = 500000
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pre_E = rng.uniform(1.0, 100.0, N).astype(np.float32)
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post_E = (pre_E * rng.uniform(0.0, 1.0, N)).astype(np.float32)
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delta_e = pre_E - post_E
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g = rng.uniform(0.0, 1.0, N).astype(np.float32)
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edep = (g * delta_e).astype(np.float32)
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e_sec = ((1.0 - g) * delta_e).astype(np.float32)
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z = energy_simplex_encode(edep, e_sec, post_E, pre_E)
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edep_r, e_sec_r, post_E_r, _ = energy_simplex_decode(z, pre_E)
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# Tolerance reflects the tiny simplex floor (~1e-5 of pre_E).
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np.testing.assert_allclose(edep_r, edep, atol=5e-3)
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np.testing.assert_allclose(e_sec_r, e_sec, atol=5e-3)
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np.testing.assert_allclose(post_E_r, post_E, atol=5e-3)
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def test_energy_simplex_handles_boundary_zeros():
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"""e_sec=0 (no secondaries) and post_E=0 (track end) stay finite and decode near 0."""
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pre_E = np.array([10.0, 50.0, 100.0], dtype=np.float32)
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edep = np.array([4.0, 50.0, 0.0], dtype=np.float32)
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e_sec = np.array([0.0, 0.0, 0.0], dtype=np.float32) # no secondaries
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post_E = np.array([6.0, 0.0, 100.0], dtype=np.float32) # row 1: track ends
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z = energy_simplex_encode(edep, e_sec, post_E, pre_E)
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assert np.all(np.isfinite(z))
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_, e_sec_r, post_E_r, _ = energy_simplex_decode(z, pre_E)
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np.testing.assert_allclose(e_sec_r, 0.0, atol=1e-2)
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assert post_E_r[1] < 1e-2 # the absorbed track decodes to ~0 post energy
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def test_normalizer_roundtrip():
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rng = np.random.default_rng(3)
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X = rng.standard_normal((200, 9)).astype(np.float32)
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norm = Normalizer().fit(X)
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np.testing.assert_allclose(norm.inverse_transform(norm.transform(X)), X, atol=1e-5)
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def test_normalizer_serialization():
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rng = np.random.default_rng(4)
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X = rng.standard_normal((50, 6)).astype(np.float32)
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norm = Normalizer().fit(X)
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norm2 = Normalizer.from_dict(norm.to_dict())
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np.testing.assert_allclose(norm2.mean, norm.mean)
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np.testing.assert_allclose(norm2.std, norm.std)
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