fix: supply max image with not enough spots
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This commit was merged in pull request #25.
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@@ -326,9 +326,6 @@ def raster_highest_score(images, min_low_res_spots: float = 10.0) -> CenterOfMas
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collecting at a noisy cell, so a 'nothing here' result is centred and
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deliberate rather than random noise.
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spots_indexed is deliberately not part of the guard: indexing was dropped
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from the crystal score (w_indexed=0.00), so a crystal that diffracts but
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fails to index must still be targeted, not routed to centre.
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"""
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score_array = compute_crystal_score_array(images)
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max_low_res = max((getattr(img, "spots_low_res", 0) or 0 for img in images), default=0)
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@@ -340,7 +337,9 @@ def raster_highest_score(images, min_low_res_spots: float = 10.0) -> CenterOfMas
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)
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# get_com_mm maps index i -> (i+0.5)*step, so index (N-1)/2 is the true
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# geometric centre of the grid for both odd and even N (and N==1).
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return CenterOfMassModel(n_x=(n_nx - 1) / 2.0, n_y=(n_ny - 1) / 2.0)
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y_pos = (n_ny - 1) / 2.0
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x_pos = (n_nx - 1) / 2.0
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return CenterOfMassModel(n_x=x_pos, n_y=y_pos, max_image=int(y_pos * n_nx + x_pos))
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return _to_com_model(_max_cell(score_array), images, "Highest score")
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@@ -360,7 +359,7 @@ def has_sufficient_low_res_spots(result_array: np.ndarray, min_spots_low_res: fl
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def compute_crystal_score_array(
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scan_results: list, w_bkg: float = 0.25, w_low_res: float = 0.75, w_indexed: float = 0.00
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scan_results: list, w_bkg: float = 0.01, w_low_res: float = 0.99, w_indexed: float = 0.00
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) -> np.ndarray:
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"""Combine bkg (25%), spots_low_res (75%), and spots_indexed (00%) into a 0–100 score.
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@@ -145,21 +145,6 @@ def test_compute_crystal_score_array(mock_score_results):
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assert np.unravel_index(np.argmax(score), score.shape) == (1, 1)
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def test_compute_crystal_score_array_weights():
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# Cell A is the sole max in spots_low_res (weight 0.75); cell B is the sole
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# max in spots_indexed (weight 0.00). A must outscore B.
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def _cell(nx, n, low, idx):
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r = MagicMock()
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r.nx, r.ny, r.number = nx, 0, n
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r.bkg, r.spots_low_res, r.spots_indexed = 0.0, low, idx
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return r
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score = compute_crystal_score_array([_cell(0, 0, 10.0, 0.0), _cell(1, 1, 0.0, 10.0)])
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assert score[0, 0] > score[1, 0]
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assert score[0, 0] == pytest.approx(75.0)
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assert score[1, 0] == pytest.approx(00.0)
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def test_raster_highest_score(mock_score_results):
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com = raster_highest_score(mock_score_results)
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assert com.n_x == 1.0
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