update mutipole tests

openmc/data/multipole.py

@@ -209,10 +209,6 @@ class WindowedMultipole(EqualityMixin):
     def data(self):
         return self._data
 
-    @property
-    def l_value(self):
-        return self._l_value
-
     @property
     def windows(self):
         return self._windows
@@ -228,35 +224,35 @@ class WindowedMultipole(EqualityMixin):
     @spacing.setter
     def spacing(self, spacing):
         if spacing is not None:
-            check_type('spacing', spacing, Real)
-            check_greater_than('spacing', spacing, 0.0, equality=False)
+            cv.check_type('spacing', spacing, Real)
+            cv.check_greater_than('spacing', spacing, 0.0, equality=False)
         self._spacing = spacing
 
     @sqrtAWR.setter
     def sqrtAWR(self, sqrtAWR):
         if sqrtAWR is not None:
-            check_type('sqrtAWR', sqrtAWR, Real)
-            check_greater_than('sqrtAWR', sqrtAWR, 0.0, equality=False)
+            cv.check_type('sqrtAWR', sqrtAWR, Real)
+            cv.check_greater_than('sqrtAWR', sqrtAWR, 0.0, equality=False)
         self._sqrtAWR = sqrtAWR
 
     @E_min.setter
     def E_min(self, E_min):
         if E_min is not None:
-            check_type('E_min', E_min, Real)
-            check_greater_than('E_min', E_min, 0.0, equality=True)
+            cv.check_type('E_min', E_min, Real)
+            cv.check_greater_than('E_min', E_min, 0.0, equality=True)
         self._E_min = E_min
 
     @E_max.setter
     def E_max(self, E_max):
         if E_max is not None:
-            check_type('E_max', E_max, Real)
-            check_greater_than('E_max', E_max, 0.0, equality=False)
+            cv.check_type('E_max', E_max, Real)
+            cv.check_greater_than('E_max', E_max, 0.0, equality=False)
         self._E_max = E_max
 
     @data.setter
     def data(self, data):
         if data is not None:
-            check_type('data', data, np.ndarray)
+            cv.check_type('data', data, np.ndarray)
             if len(data.shape) != 2:
                 raise ValueError('Multipole data arrays must be 2D')
             if data.shape[1] not in (3, 4):
@@ -271,7 +267,7 @@ class WindowedMultipole(EqualityMixin):
     @windows.setter
     def windows(self, windows):
         if windows is not None:
-            check_type('windows', windows, np.ndarray)
+            cv.check_type('windows', windows, np.ndarray)
             if len(windows.shape) != 2:
                 raise ValueError('Multipole windows arrays must be 2D')
             if not np.issubdtype(windows.dtype, int):
@@ -282,7 +278,7 @@ class WindowedMultipole(EqualityMixin):
     @broaden_poly.setter
     def broaden_poly(self, broaden_poly):
         if broaden_poly is not None:
-            check_type('broaden_poly', broaden_poly, np.ndarray)
+            cv.check_type('broaden_poly', broaden_poly, np.ndarray)
             if len(broaden_poly.shape) != 1:
                 raise ValueError('Multipole broaden_poly arrays must be 1D')
             if not np.issubdtype(broaden_poly.dtype, bool):
@@ -293,7 +289,7 @@ class WindowedMultipole(EqualityMixin):
     @curvefit.setter
     def curvefit(self, curvefit):
         if curvefit is not None:
-            check_type('curvefit', curvefit, np.ndarray)
+            cv.check_type('curvefit', curvefit, np.ndarray)
             if len(curvefit.shape) != 3:
                 raise ValueError('Multipole curvefit arrays must be 3D')
             if curvefit.shape[2] not in (2, 3):  # sig_s, sig_a (maybe sig_f)

tests/regression_tests/multipole/results_true.dat

@@ -1,36 +1,36 @@
 k-combined:
-1.363786E+00 1.103929E-02
+1.342579E+00 1.221176E-02
 tally 1:
-3.960375E+00
-3.138356E+00
-2.875799E+00
-1.655329E+00
-5.521904E-01
-6.105083E-02
-4.617974E-01
-4.274130E-02
+3.839794E+00
+2.951721E+00
+2.785273E+00
+1.554128E+00
+5.349716E-01
+5.732174E-02
+4.499834E-01
+4.055011E-02
 0.000000E+00
 0.000000E+00
-2.254165E+01
-1.016444E+02
+2.258507E+01
+1.020294E+02
 0.000000E+00
 0.000000E+00
-6.839351E-04
-9.359599E-08
-2.251829E+01
-1.014341E+02
-4.903575E-05
-1.199780E-09
-3.595002E+02
-2.586079E+04
-2.875799E+00
-1.655329E+00
-2.174747E+00
-9.465589E-01
-3.543564E+02
-2.512619E+04
-4.903575E-05
-1.199780E-09
+6.862242E-04
+9.421377E-08
+2.256396E+01
+1.018388E+02
+1.146136E-04
+3.296980E-09
+3.624627E+02
+2.628739E+04
+2.785273E+00
+1.554128E+00
+2.176478E+00
+9.480405E-01
+3.574110E+02
+2.555993E+04
+1.146136E-04
+3.296980E-09
 Cell
 	ID             =	11
 	Name           =	

tests/unit_tests/test_data_multipole.py

@@ -3,8 +3,6 @@ import os
 import numpy as np
 import pytest
 import openmc.data
-
-
 pytestmark = pytest.mark.skipif(
     'OPENMC_MULTIPOLE_LIBRARY' not in os.environ,
     reason='OPENMC_MULTIPOLE_LIBRARY environment variable must be set')
@@ -18,44 +16,32 @@ def u235():
 
 
 @pytest.fixture(scope='module')
-def u234():
+def b10():
     directory = os.environ['OPENMC_MULTIPOLE_LIBRARY']
-    filename = os.path.join(directory, '092234.h5')
+    filename = os.path.join(directory, '005010.h5')
     return openmc.data.WindowedMultipole.from_hdf5(filename)
 
 
-@pytest.fixture(scope='module')
-def fe56():
-    directory = os.environ['OPENMC_MULTIPOLE_LIBRARY']
-    filename = os.path.join(directory, '026056.h5')
-    return openmc.data.WindowedMultipole.from_hdf5(filename)
-
-
-def test_evaluate_rm(u235):
-    """Make sure a Reich-Moore multipole object can be called."""
+def test_evaluate(u235):
+    """Test the cross section evaluation of a library."""
     energies = [1e-3, 1.0, 10.0, 50.]
-    total, absorption, fission = u235(energies, 0.0)
-    assert total[1] == pytest.approx(90.64895383)
-    total, absorption, fission = u235(energies, 300.0)
-    assert total[1] == pytest.approx(91.12534964)
+    scattering, absorption, fission = u235(energies, 0.0)
+    assert (scattering[1], absorption[1], fission[1]) == \
+           pytest.approx((13.09, 77.56, 67.36), rel=1e-3)
+    scattering, absorption, fission = u235(energies, 300.0)
+    assert (scattering[2], absorption[2], fission[2]) == \
+           pytest.approx((11.24, 21.26, 15.50), rel=1e-3)
 
 
-def test_evaluate_mlbw(u234):
-    """Make sure a Multi-Level Breit-Wigner multipole object can be called."""
-    energies = [1e-3, 1.0, 10.0, 50.]
-    total, absorption, fission = u234(energies, 0.0)
-    assert total[3] == pytest.approx(15.02827953)
-    total, absorption, fission = u234(energies, 300.0)
-    assert total[3] == pytest.approx(15.08269143)
-
-
-def test_high_l(fe56):
-    """Test a nuclide (Fe56) with a high l-value (4)."""
+def test_evaluate_none_poles(b10):
+    """Test a library with no poles, i.e., purely polynomials."""
     energies = [1e-3, 1.0, 10.0, 1e3, 1e5]
-    total, absorption, fission = fe56(energies, 0.0)
-    assert total[0] == pytest.approx(25.072619556789267)
-    total, absorption, fission = fe56(energies, 300.0)
-    assert total[0] == pytest.approx(27.85535792368082)
+    scattering, absorption, fission = b10(energies, 0.0)
+    assert (scattering[0], absorption[0], fission[0]) == \
+           pytest.approx((2.201, 19330., 0.), rel=1e-3)
+    scattering, absorption, fission = b10(energies, 300.0)
+    assert (scattering[-1], absorption[-1], fission[-1]) == \
+           pytest.approx((2.878, 1.982, 0.), rel=1e-3)
 
 
 def test_export_to_hdf5(tmpdir, u235):