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# This file is part of xrayutilities.
#
# xrayutilities is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation; either version 2 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program; if not, see <http://www.gnu.org/licenses/>.
#
# Copyright (c) 2019-2025 Dominik Kriegner <dominik.kriegner@gmail.com>
import configparser
import os
import subprocess
import sys
import tempfile
import unittest
from pathlib import Path
scriptdir = Path(__file__).parent.parent / "examples"
scriptfiles = [
"simpack_powdermodel.py",
"simpack_xrd_AlGaAs.py",
"simpack_xrd_Darwin_AlGaAs.py",
"simpack_xrd_dyn_AlGaAs.py",
"simpack_xrd_InAs_fitting.py",
"simpack_xrd_SiGe111.py",
"simpack_xrd_SiGe_asymmmetric.py",
"simpack_xrd_SiGe.py",
"simpack_xrd_SiGe_superlattice.py",
"simpack_xrr_diffuse.py",
"simpack_xrr_matrixmethod.py",
"simpack_xrr_SiO2_Ru_CoFe_IrMn_Al2O3.py",
"xrayutilities_angular2hkl_conversion.py",
# "xrayutilities_ccd_parameter.py", # data file not included
"xrayutilities_components_of_the_structure_factor.py",
"xrayutilities_define_material.py",
"xrayutilities_energy_dependent_structure_factor.py",
# "xrayutilities_example_plot_3D_ESRF_ID01.py", # data file not included
"xrayutilities_experiment_angle_calculation.py",
"xrayutilities_experiment_kappa.py",
"xrayutilities_experiment_Powder_example_Iron.py",
# "xrayutilities_export_data2vtk.py", # needs vtk + data
"xrayutilities_fuzzygridding.py",
"xrayutilities_hotpixelkill_variant.py",
"xrayutilities_id01_functions.py",
"xrayutilities_io_cif_parser_bi2te3.py",
"xrayutilities_io_cif_parser.py",
# "xrayutilities_io_pdcif_plot.py", # data file not included
# "xrayutilities_kmap_example_ESRF.py", # data file not included
"xrayutilities_materials_Alloy_contentcalc.py",
"xrayutilities_math_fitting.py",
"xrayutilities_orientation_matrix.py",
"xrayutilities_peak_angles_beamtime.py",
# "xrayutilities_polefigure.py", # basemap needed
"xrayutilities_q2ang_general.py",
"xrayutilities_read_panalytical.py",
# "xrayutilities_read_seifert.py", # data file not included
"xrayutilities_read_spec.py",
"xrayutilities_reflection_strength.py",
"xrayutilities_show_reciprocal_space_plane.py",
]
cleanup_files = [
"xrrfit.dat",
]
class TestExampleScripts(unittest.TestCase):
@classmethod
def setUpClass(cls):
"""Create temporary config settings.
Limit number of used threads during the test run of the examples.
"""
cls.config_file = scriptdir / "xrayutilities.conf"
cls.config = configparser.ConfigParser()
cls.config["xrayutilities"] = {"nthreads": "2"}
with open(cls.config_file, "w") as f:
cls.config.write(f)
def test_examples(self):
"""Testrun example scripts."""
for sf in scriptfiles:
print(f"starting script {sf}")
with self.subTest(script=sf):
with tempfile.TemporaryFile(mode="w") as fid:
env = os.environ.copy()
env["MPLBACKEND"] = "agg"
cmd = [sys.executable, sf]
subprocess.run(
cmd, env=env, cwd=scriptdir, stdout=fid, check=True
)
@classmethod
def tearDownClass(cls):
"""Clean up any files created during tests."""
try:
os.remove(cls.config_file)
except FileNotFoundError:
print(
f"Warning: Config file {cls.config_file} not found during "
"tearDownClass."
)
for f in cleanup_files:
try:
Path(scriptdir, f).unlink(missing_ok=True)
except OSError:
pass
if __name__ == "__main__":
unittest.main()
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