Introduce ResultsList class to replace scattered functions

tests/unit_tests/test_deplete_cecm.py

@@ -5,8 +5,6 @@ These tests integrate a simple test problem described in dummy_geometry.py.
 
 from pytest import approx
 import openmc.deplete
-from openmc.deplete import results
-from openmc.deplete import utilities
 
 from tests import dummy_operator
 
@@ -23,10 +21,10 @@ def test_cecm(run_in_tmpdir):
     openmc.deplete.cecm(op, dt, power, print_out=False)
 
     # Load the files
-    res = results.read_results(op.output_dir / "depletion_results.h5")
+    res = openmc.deplete.ResultsList(op.output_dir / "depletion_results.h5")
 
-    _, y1 = utilities.evaluate_single_nuclide(res, "1", "1")
-    _, y2 = utilities.evaluate_single_nuclide(res, "1", "2")
+    _, y1 = res.get_atoms("1", "1")
+    _, y2 = res.get_atoms("1", "2")
 
     # Mathematica solution
     s1 = [1.86872629872102, 1.395525772416039]

tests/unit_tests/test_deplete_integrator.py

@@ -1,4 +1,4 @@
-"""Tests for integrator.py
+"""Tests for saving results
 
 It is worth noting that openmc.deplete.integrate is extremely complex, to the
 point I am unsure if it can be reasonably unit-tested.  For the time being, it
@@ -11,11 +11,11 @@ import os
 from unittest.mock import MagicMock
 
 import numpy as np
-from openmc.deplete import (integrator, ReactionRates, results, comm,
+from openmc.deplete import (ReactionRates, Results, ResultsList, comm,
                             OperatorResult)
 
 
-def test_save_results(run_in_tmpdir):
+def test_results_save(run_in_tmpdir):
     """Test data save module"""
 
     stages = 3
@@ -72,11 +72,11 @@ def test_save_results(run_in_tmpdir):
 
     op_result1 = [OperatorResult(k, rates) for k, rates in zip(eigvl1, rate1)]
     op_result2 = [OperatorResult(k, rates) for k, rates in zip(eigvl2, rate2)]
-    integrator.save_results(op, x1, op_result1, t1, 0)
-    integrator.save_results(op, x2, op_result2, t2, 1)
+    Results.save(op, x1, op_result1, t1, 0)
+    Results.save(op, x2, op_result2, t2, 1)
 
     # Load the files
-    res = results.read_results("depletion_results.h5")
+    res = ResultsList("depletion_results.h5")
 
     for i in range(stages):
         for mat_i, mat in enumerate(burn_list):

tests/unit_tests/test_deplete_predictor.py

@@ -5,8 +5,6 @@ These tests integrate a simple test problem described in dummy_geometry.py.
 
 from pytest import approx
 import openmc.deplete
-from openmc.deplete import results
-from openmc.deplete import utilities
 
 from tests import dummy_operator
 
@@ -23,10 +21,10 @@ def test_predictor(run_in_tmpdir):
     openmc.deplete.predictor(op, dt, power, print_out=False)
 
     # Load the files
-    res = results.read_results(op.output_dir / "depletion_results.h5")
+    res = openmc.deplete.ResultsList(op.output_dir / "depletion_results.h5")
 
-    _, y1 = utilities.evaluate_single_nuclide(res, "1", "1")
-    _, y2 = utilities.evaluate_single_nuclide(res, "1", "2")
+    _, y1 = res.get_atoms("1", "1")
+    _, y2 = res.get_atoms("1", "2")
 
     # Mathematica solution
     s1 = [2.46847546272295, 0.986431226850467]

tests/unit_tests/test_deplete_resultslist.py

@@ -0,0 +1,51 @@
+"""Tests the ResultsList class"""
+
+from pathlib import Path
+
+import numpy as np
+import pytest
+import openmc.deplete
+
+
+@pytest.fixture
+def res():
+    """Load the reference results"""
+    filename = Path(__file__).parents[1] / 'regression_tests' / 'test_reference.h5'
+    return openmc.deplete.ResultsList(filename)
+
+
+def test_get_atoms(res):
+    """Tests evaluating single nuclide concentration."""
+    t, n = res.get_atoms("1", "Xe135")
+
+    t_ref = [0.0, 1296000.0, 2592000.0, 3888000.0]
+    n_ref = [6.6747328233649218e+08, 3.5421791038348462e+14,
+             3.6208592242443462e+14, 3.3799758969347038e+14]
+
+    np.testing.assert_array_equal(t, t_ref)
+    np.testing.assert_array_equal(n, n_ref)
+
+def test_get_reaction_rate(res):
+    """Tests evaluating reaction rate."""
+    t, r = res.get_reaction_rate("1", "Xe135", "(n,gamma)")
+
+    t_ref = [0.0, 1296000.0, 2592000.0, 3888000.0]
+    n_ref = np.array([6.6747328233649218e+08, 3.5421791038348462e+14,
+                       3.6208592242443462e+14, 3.3799758969347038e+14])
+    xs_ref = np.array([4.0594392323131994e-05, 3.9249546927524987e-05,
+                       3.8394587728581798e-05, 4.1521845978371697e-05])
+
+    np.testing.assert_array_equal(t, t_ref)
+    np.testing.assert_array_equal(r, n_ref * xs_ref)
+
+
+def test_get_eigenvalue(res):
+    """Tests evaluating eigenvalue."""
+    t, k = res.get_eigenvalue()
+
+    t_ref = [0.0, 1296000.0, 2592000.0, 3888000.0]
+    k_ref = [1.181281798790367, 1.1798750921988739, 1.1965943696058159,
+             1.2207119847790813]
+
+    np.testing.assert_array_equal(t, t_ref)
+    np.testing.assert_array_equal(k, k_ref)