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from __future__ import annotations
import shutil
import subprocess
def test_align_crystal(dials_data, tmp_path):
path = str(dials_data("experiment_test_data", pathlib=True))
result = subprocess.run(
[shutil.which("dials.align_crystal"), f"{path}/kappa_experiments.json"],
cwd=tmp_path,
capture_output=True,
)
assert not result.returncode and not result.stderr
assert result.stdout.replace(b"\r\n", b"\n").endswith(
b"""\
Angles between reciprocal cell axes and principal experimental axes:
+---------------------+--------+--------+--------+
| Experimental axis | a* | b* | c* |
|---------------------+--------+--------+--------|
| GON_PHI | 88.712 | 88.317 | 1.76 |
| Beam | 13.904 | 46.197 | 88.481 |
| GON_OMEGA | 88.712 | 88.317 | 1.76 |
+---------------------+--------+--------+--------+
Angles between unit cell axes and principal experimental axes:
+---------------------+--------+--------+--------+
| Experimental axis | a | b | c |
|---------------------+--------+--------+--------|
| GON_PHI | 89.484 | 88.801 | 1.76 |
| Beam | 43.844 | 76.182 | 88.481 |
| GON_OMEGA | 89.484 | 88.801 | 1.76 |
+---------------------+--------+--------+--------+
Independent solutions:
+----------------+------------------+-------------+-----------+
| Primary axis | Secondary axis | GON_KAPPA | GON_PHI |
|----------------+------------------+-------------+-----------|
| c* (6-fold) | a* (2-fold) | 4.324 | -77.874 |
| c* (6-fold) | a* (2-fold) | -4.324 | 106.075 |
+----------------+------------------+-------------+-----------+
"""
)
|
