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from __future__ import annotations
import random
import pytest
from dxtbx.serialize import load
from dials.array_family import flex
from dials.util.reciprocal_lattice import Render3d
@pytest.fixture
def multi_sequence_data(dials_data):
data_dir = dials_data("indexing_test_data", pathlib=True)
experiments = load.experiment_list(
data_dir / "multi_sweep-experiments.json",
check_format=False,
)
reflections = flex.reflection_table.from_file(
data_dir / "multi_sweep-indexed.pickle",
)
return {"reflections": reflections, "experiments": experiments}
@pytest.fixture
def centroid_test_data(dials_data):
experiments = load.experiment_list(
dials_data("centroid_test_data", pathlib=True) / "experiments.json",
check_format=False,
)
reflections = flex.reflection_table.from_file(
dials_data("centroid_test_data", pathlib=True) / "integrated.pickle"
)
return {"reflections": reflections, "experiments": experiments}
def test_Render3d(mocker, multi_sequence_data):
experiments = multi_sequence_data["experiments"]
reflections = multi_sequence_data["reflections"]
render = Render3d()
render.viewer = mocker.Mock()
mocker.spy(render, "set_beam_centre")
mocker.spy(render, "map_points_to_reciprocal_space")
mocker.spy(render, "set_points")
render.load_models(experiments, reflections)
assert render.set_beam_centre.call_count == 0
assert render.map_points_to_reciprocal_space.call_count == 1
assert render.set_points.call_count == 1
assert render.viewer.set_points.call_count == 1
assert render.viewer.set_points.call_args[0][0].size() == 1255
assert render.viewer.set_colors.call_count == 1
assert render.viewer.set_palette.call_count == 1
assert render.viewer.set_reciprocal_lattice_vectors.call_count == 1
assert list(render.viewer.set_palette.call_args[0][0][:2]) == [
(1.0, 1.0, 1.0),
(0.9019607843137255, 0.6235294117647059, 0.0),
]
render.settings.beam_centre = (211, 205)
render.settings.beam_centre = (41, 97)
render.load_models(experiments, reflections)
assert render.set_beam_centre.call_count == 1
for outlier_display, expected_count in (("outliers", 0), ("inliers", 1255)):
render.settings.outlier_display = outlier_display
render.load_models(experiments, reflections)
assert render.viewer.set_points.call_args[0][0].size() == expected_count
for display, expected_count in (
("indexed", 1255),
("unindexed", 0),
("integrated", 0),
):
render.settings.display = display
render.load_models(experiments, reflections)
assert render.viewer.set_points.call_args[0][0].size() == expected_count
render.settings.display = "all"
render.settings.experiment_ids = [0, 2, 3]
render.load_models(experiments, reflections)
assert render.viewer.set_points.call_args[0][0].size() == 957
render.settings.black_background = False
render.load_models(experiments, reflections)
assert list(render.viewer.set_palette.call_args[0][0][:2]) == [
(0.0, 0.0, 0.0),
(0.0980392156862745, 0.3764705882352941, 1.0),
]
render.settings.reverse_phi = True
mocker.spy(flex.reflection_table, "map_centroids_to_reciprocal_space")
render.load_models(experiments, reflections)
assert flex.reflection_table.map_centroids_to_reciprocal_space.call_count == 1
def test_Render3d_integrated(mocker, centroid_test_data):
experiments = centroid_test_data["experiments"]
reflections = centroid_test_data["reflections"]
render = Render3d()
render.viewer = mocker.Mock()
render.load_models(experiments, reflections)
assert render.viewer.set_points.call_args[0][0].size() == 2269
render.settings.partiality_min = 0.2
render.settings.partiality_max = 0.9
render.load_models(experiments, reflections)
assert render.viewer.set_points.call_args[0][0].size() == 923
render = Render3d()
render.viewer = mocker.Mock()
render.settings.z_min = 2
render.settings.z_max = 7
render.load_models(experiments, reflections)
assert render.viewer.set_points.call_args[0][0].size() == 1885
random.seed(42)
reflections["n_signal"] = flex.size_t(
random.randint(1, 100) for i in range(len(reflections))
)
render = Render3d()
render.viewer = mocker.Mock()
render.settings.n_min = None
render.settings.n_max = None
render.load_models(experiments, reflections)
assert render.viewer.set_points.call_args[0][0].size() == 2269
render = Render3d()
render.viewer = mocker.Mock()
render.settings.n_min = 20
render.settings.n_max = 80
render.load_models(experiments, reflections)
expected = 1368
assert render.viewer.set_points.call_args[0][0].size() == expected
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