Refactor endf_data to be a fixture (#3539)

Author: GuySten

openmc/config.py

@@ -193,12 +193,12 @@ def _default_config() -> _Config:
 
     """
     config = _Config()
-    if "OPENMC_CROSS_SECTIONS" in os.environ:
-        config['cross_sections'] = os.environ["OPENMC_CROSS_SECTIONS"]
-    if "OPENMC_MG_CROSS_SECTIONS" in os.environ:
-        config['mg_cross_sections'] = os.environ["OPENMC_MG_CROSS_SECTIONS"]
-    chain_file = os.environ.get("OPENMC_CHAIN_FILE")
-    xs_path = config.get('cross_sections')
+    for key,var in _Config._PATH_KEYS.items():
+        if var in os.environ:
+            config[key] = os.environ[var]
+    
+    chain_file = config.get("chain_file")
+    xs_path = config.get("cross_sections")
     if chain_file is None and xs_path is not None and xs_path.exists():
         try:
             data = DataLibrary.from_xml(xs_path)
@@ -209,10 +209,8 @@ def _default_config() -> _Config:
         else:
             for lib in reversed(data.libraries):
                 if lib['type'] == 'depletion_chain':
-                    chain_file = xs_path.parent / lib['path']
+                    config['chain_file'] = xs_path.parent / lib['path']
                     break
-    if chain_file is not None:
-        config['chain_file'] = chain_file
     return config
 
 

tests/conftest.py

@@ -1,3 +1,4 @@
+import os
 import pytest
 import openmc
 
@@ -28,7 +29,10 @@ def run_in_tmpdir(tmpdir):
         yield
     finally:
         orig.chdir()
-
+        
+@pytest.fixture(scope="module")
+def endf_data():
+    return os.environ['OPENMC_ENDF_DATA']        
 
 @pytest.fixture(scope='session', autouse=True)
 def resolve_paths():

tests/unit_tests/test_data_decay.py

@@ -17,25 +17,22 @@ def ufloat_close(a, b):
 
 
 @pytest.fixture(scope='module')
-def nb90():
+def nb90(endf_data):
     """Nb90 decay data."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'decay', 'dec-041_Nb_090.endf')
     return openmc.data.Decay.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def ba137m():
+def ba137m(endf_data):
     """Ba137_m1 decay data."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'decay', 'dec-056_Ba_137m1.endf')
     return openmc.data.Decay.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def u235_yields():
+def u235_yields(endf_data):
     """U235 fission product yield data."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'nfy', 'nfy-092_U_235.endf')
     return openmc.data.FissionProductYields.from_endf(filename)
 

tests/unit_tests/test_data_kalbach_mann.py

@@ -7,6 +7,7 @@
 
 import numpy as np
 
+import openmc
 from openmc.data import IncidentNeutron
 from openmc.data.kalbach_mann import _separation_energy, _AtomicRepresentation
 from openmc.data import kalbach_slope
@@ -129,7 +130,7 @@ def test_kalbach_slope():
         ('Hg204.h5', 'n-080_Hg_204.endf')
     ]
 )
-def test_comparison_slope_hdf5(hdf5_filename, endf_filename):
+def test_comparison_slope_hdf5(hdf5_filename, endf_filename, endf_data):
     """Test the calculation of the Kalbach-Mann slope done by OpenMC
     by comparing it to HDF5 data. The test is based on the first product
     of MT=5 (neutron). The isotopes tested have been selected because the
@@ -147,13 +148,13 @@ def test_comparison_slope_hdf5(hdf5_filename, endf_filename):
 
     """
     # HDF5 data
-    hdf5_directory = Path(os.environ['OPENMC_CROSS_SECTIONS']).parent
+    hdf5_directory = Path(openmc.config.get('cross_sections')).parent
     hdf5_data = IncidentNeutron.from_hdf5(hdf5_directory / hdf5_filename)
     hdf5_product = hdf5_data[5].products[0]
     hdf5_distribution = hdf5_product.distribution[0]
 
     # ENDF data
-    endf_directory = Path(os.environ['OPENMC_ENDF_DATA'])
+    endf_directory = Path(endf_data)
     endf_path = endf_directory / 'neutrons' / endf_filename
     endf_data = IncidentNeutron.from_endf(endf_path)
     endf_product = endf_data[5].products[0]

tests/unit_tests/test_data_misc.py

@@ -30,7 +30,7 @@ def test_data_library(tmpdir):
     assert os.path.exists(filename)
 
     new_lib = openmc.data.DataLibrary()
-    directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
+    directory = os.path.dirname(openmc.config.get('cross_sections'))
     new_lib.register_file(os.path.join(directory, 'H1.h5'))
     assert new_lib[-1]['type'] == 'neutron'
     new_lib.register_file(os.path.join(directory, 'c_Zr_in_ZrH.h5'))

tests/unit_tests/test_data_multipole.py

@@ -8,14 +8,14 @@
 
 @pytest.fixture(scope='module')
 def u235():
-    directory = pathlib.Path(os.environ['OPENMC_CROSS_SECTIONS']).parent
+    directory = pathlib.Path(openmc.config.get('cross_sections')).parent
     u235 = directory / 'wmp' / '092235.h5'
     return openmc.data.WindowedMultipole.from_hdf5(u235)
 
 
 @pytest.fixture(scope='module')
 def b10():
-    directory = pathlib.Path(os.environ['OPENMC_CROSS_SECTIONS']).parent
+    directory = pathlib.Path(openmc.config.get('cross_sections')).parent
     b10 = directory / 'wmp' / '005010.h5'
     return openmc.data.WindowedMultipole.from_hdf5(b10)
 
@@ -48,17 +48,15 @@ def test_export_to_hdf5(tmpdir, u235):
     assert os.path.exists(filename)
 
 
-def test_from_endf():
+def test_from_endf(endf_data):
     pytest.importorskip('vectfit')
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     endf_file = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
     assert openmc.data.WindowedMultipole.from_endf(
             endf_file, log=True, wmp_options={"n_win": 400, "n_cf": 3})
 
 
-def test_from_endf_search():
+def test_from_endf_search(endf_data):
     pytest.importorskip('vectfit')
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     endf_file = os.path.join(endf_data, 'neutrons', 'n-095_Am_244.endf')
     assert openmc.data.WindowedMultipole.from_endf(
             endf_file, log=True, wmp_options={"search": True, 'rtol':1e-2})

tests/unit_tests/test_data_neutron.py

@@ -14,128 +14,113 @@
 @pytest.fixture(scope='module')
 def pu239():
     """Pu239 HDF5 data."""
-    directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
+    directory = os.path.dirname(openmc.config.get('cross_sections'))
     filename = os.path.join(directory, 'Pu239.h5')
     return openmc.data.IncidentNeutron.from_hdf5(filename)
 
 
 @pytest.fixture(scope='module')
-def xe135():
+def xe135(endf_data):
     """Xe135 ENDF data (contains SLBW resonance range)"""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-054_Xe_135.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def sm150():
+def sm150(endf_data):
     """Sm150 ENDF data (contains MLBW resonance range)"""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-062_Sm_150.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def gd154():
+def gd154(endf_data):
     """Gd154 ENDF data (contains Reich Moore resonance range and reosnance
     covariance with LCOMP=1)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-064_Gd_154.endf')
     return openmc.data.IncidentNeutron.from_endf(filename, covariance=True)
 
 
 @pytest.fixture(scope='module')
-def cl35():
+def cl35(endf_data):
     """Cl35 ENDF data (contains RML resonance range)"""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-017_Cl_035.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def am241():
+def am241(endf_data):
     """Am241 ENDF data (contains Madland-Nix fission energy distribution)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-095_Am_241.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def u233():
+def u233(endf_data):
     """U233 ENDF data (contains Watt fission energy distribution)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-092_U_233.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def u236():
+def u236(endf_data):
     """U236 ENDF data (contains Watt fission energy distribution)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-092_U_236.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def na22():
+def na22(endf_data):
     """Na22 ENDF data (contains evaporation spectrum)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-011_Na_022.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def na23():
+def na23(endf_data):
     """Na23 ENDF data (contains MLBW resonance covariance with LCOMP=0)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-011_Na_023.endf')
     return openmc.data.IncidentNeutron.from_endf(filename, covariance=True)
 
 
 @pytest.fixture(scope='module')
-def be9():
+def be9(endf_data):
     """Be9 ENDF data (contains laboratory angle-energy distribution)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-004_Be_009.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def h2():
-    endf_data = os.environ['OPENMC_ENDF_DATA']
+def h2(endf_data):
     endf_file = os.path.join(endf_data, 'neutrons', 'n-001_H_002.endf')
     return openmc.data.IncidentNeutron.from_njoy(
         endf_file, temperatures=_TEMPERATURES)
 
 
 @pytest.fixture(scope='module')
-def am244():
-    endf_data = os.environ['OPENMC_ENDF_DATA']
+def am244(endf_data):
     endf_file = os.path.join(endf_data, 'neutrons', 'n-095_Am_244.endf')
     return openmc.data.IncidentNeutron.from_njoy(endf_file)
 
 
 @pytest.fixture(scope='module')
-def ti50():
+def ti50(endf_data):
     """Ti50 ENDF data (contains Multi-level Breit-Wigner resonance range and
        resonance covariance with LCOMP=1)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-022_Ti_050.endf')
     return openmc.data.IncidentNeutron.from_endf(filename, covariance=True)
 
 
 @pytest.fixture(scope='module')
-def cf252():
+def cf252(endf_data):
     """Cf252 ENDF data (contains RM resonance covariance with LCOMP=0)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-098_Cf_252.endf')
     return openmc.data.IncidentNeutron.from_endf(filename, covariance=True)
 
 
 @pytest.fixture(scope='module')
-def th232():
+def th232(endf_data):
     """Th232 ENDF data (contains RM resonance covariance with LCOMP=2)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-090_Th_232.endf')
     return openmc.data.IncidentNeutron.from_endf(filename, covariance=True)
 
@@ -453,8 +438,7 @@ def test_laboratory(be9):
 
 
 @needs_njoy
-def test_correlated(tmpdir):
-    endf_data = os.environ['OPENMC_ENDF_DATA']
+def test_correlated(tmpdir, endf_data):
     endf_file = os.path.join(endf_data, 'neutrons', 'n-014_Si_030.endf')
     si30 = openmc.data.IncidentNeutron.from_njoy(endf_file, heatr=False)
 
@@ -480,8 +464,7 @@ def test_nbody(tmpdir, h2):
 
 
 @needs_njoy
-def test_ace_convert(run_in_tmpdir):
-    endf_data = os.environ['OPENMC_ENDF_DATA']
+def test_ace_convert(run_in_tmpdir, endf_data):
     filename = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
     ace_ascii = 'ace_ascii'
     ace_binary = 'ace_binary'
@@ -515,8 +498,7 @@ def test_ace_table_types():
 
 
 @needs_njoy
-def test_high_temperature():
-    endf_data = os.environ['OPENMC_ENDF_DATA']
+def test_high_temperature(endf_data):
     endf_file = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
 
     # Ensure that from_njoy works when given a high temperature

tests/unit_tests/test_data_photon.py

@@ -9,9 +9,8 @@
 
 
 @pytest.fixture(scope='module')
-def elements_endf():
+def elements_endf(endf_data):
     """Dictionary of element ENDF data indexed by atomic symbol."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     elements = {'H': 1, 'O': 8, 'Al': 13, 'Cu': 29, 'Ag': 47, 'U': 92, 'Pu': 94}
     data = {}
     for symbol, Z in elements.items():
@@ -145,8 +144,8 @@ def test_export_to_hdf5(tmpdir, element):
     element2.export_to_hdf5(filename, 'w')
 
 
-def test_photodat_only(run_in_tmpdir):
-    endf_dir = Path(os.environ['OPENMC_ENDF_DATA'])
+def test_photodat_only(run_in_tmpdir, endf_data):
+    endf_dir = Path(endf_data)
     photoatomic_file = endf_dir / 'photoat' / 'photoat-001_H_000.endf'
     data = openmc.data.IncidentPhoton.from_endf(photoatomic_file)
     data.export_to_hdf5('tmp.h5', 'w')