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from __future__ import annotations
import shutil
import subprocess
from os import path
import pytest
from dxtbx.serialize import load
from dials.command_line.modify_geometry import phil_scope, update
def test_run(dials_data, tmp_path):
orig_expt_json = dials_data("experiment_test_data") / "kappa_experiments.json"
assert path.exists(orig_expt_json)
orig_expt = load.experiment_list(orig_expt_json, check_format=False)
orig_gonio = orig_expt.goniometers()[0]
assert orig_gonio.get_angles() == pytest.approx([0, 180, 0])
result = subprocess.run(
[shutil.which("dials.modify_geometry"), orig_expt_json, "angles=10,20,30"],
cwd=tmp_path,
capture_output=True,
)
assert not result.returncode and not result.stderr
new_expt_json = tmp_path / "modified.expt"
assert new_expt_json.is_file()
new_expt = load.experiment_list(new_expt_json, check_format=False)
new_gonio = new_expt.goniometers()[0]
assert new_gonio.get_angles() == pytest.approx([10, 20, 30])
def test_update(dials_data):
orig_expt = dials_data("aluminium_standard", pathlib=True) / "imported.expt"
assert orig_expt.is_file()
orig_expt = load.experiment_list(orig_expt, check_format=False)
orig_beam = orig_expt.beams()[0]
assert orig_beam.get_wavelength() == pytest.approx(0.02508235604)
working_params = phil_scope.fetch().extract()
working_params.geometry.beam.wavelength = 0.05
new_expt = update(orig_expt, working_params)
new_beam = new_expt.beams()[0]
assert new_beam.get_wavelength() == pytest.approx(0.05)
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