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from __future__ import annotations
import shutil
import subprocess
from dials.algorithms.refinement.engine import Journal
def test_scan_varying_refinement_of_a_multiple_panel_detector(dials_data, tmp_path):
from dials.array_family import flex
data_dir = dials_data("refinement_test_data", pathlib=True)
result = subprocess.run(
[
shutil.which("dials.refine"),
data_dir / "I23_24_panel.json",
data_dir / "I23_24_panel.pickle",
"scan_varying=true",
"history=history.json",
"outlier.separate_blocks=False",
],
cwd=tmp_path,
capture_output=True,
)
assert not result.returncode and not result.stderr
# there are plenty of things we could do with the refinement history, but
# here just check that final RMSDs are low enough
history = Journal.from_json_file(tmp_path / "history.json")
final_rmsd = history["rmsd"][-1]
assert final_rmsd[0] < 0.05
assert final_rmsd[1] < 0.04
assert final_rmsd[2] < 0.0002
# also check that the used_in_refinement flag got set correctly
rt = flex.reflection_table.from_file(tmp_path / "refined.refl")
uir = rt.get_flags(rt.flags.used_in_refinement)
assert uir.count(True) == history["num_reflections"][-1]
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