from collections.abc import Mapping import os import numpy as np import pytest import openmc import openmc.exceptions as exc import openmc.capi from tests import cdtemp @pytest.fixture(scope='module') def pincell_model(): """Set up a model to test with and delete files when done""" openmc.reset_auto_ids() pincell = openmc.examples.pwr_pin_cell() pincell.settings.verbosity = 1 # Add a tally filter1 = openmc.MaterialFilter(pincell.materials) filter2 = openmc.EnergyFilter([0.0, 1.0, 1.0e3, 20.0e6]) mat_tally = openmc.Tally() mat_tally.filters = [filter1, filter2] mat_tally.nuclides = ['U235', 'U238'] mat_tally.scores = ['total', 'elastic', '(n,gamma)'] pincell.tallies.append(mat_tally) # Add an expansion tally zernike_tally = openmc.Tally() filter3 = openmc.ZernikeFilter(5, r=.63) cells = pincell.geometry.root_universe.cells filter4 = openmc.CellFilter(list(cells.values())) zernike_tally.filters = [filter3, filter4] zernike_tally.scores = ['fission'] pincell.tallies.append(zernike_tally) # Write XML files in tmpdir with cdtemp(): pincell.export_to_xml() yield @pytest.fixture(scope='module') def capi_init(pincell_model): openmc.capi.init() yield openmc.capi.finalize() @pytest.fixture(scope='module') def capi_run(capi_init): openmc.capi.run() def test_cell_mapping(capi_init): cells = openmc.capi.cells assert isinstance(cells, Mapping) assert len(cells) == 3 for cell_id, cell in cells.items(): assert isinstance(cell, openmc.capi.Cell) assert cell_id == cell.id def test_cell(capi_init): cell = openmc.capi.cells[1] assert isinstance(cell.fill, openmc.capi.Material) cell.fill = openmc.capi.materials[1] assert str(cell) == 'Cell[1]' def test_new_cell(capi_init): with pytest.raises(exc.AllocationError): openmc.capi.Cell(1) new_cell = openmc.capi.Cell() new_cell_with_id = openmc.capi.Cell(10) assert len(openmc.capi.cells) == 5 def test_material_mapping(capi_init): mats = openmc.capi.materials assert isinstance(mats, Mapping) assert len(mats) == 3 for mat_id, mat in mats.items(): assert isinstance(mat, openmc.capi.Material) assert mat_id == mat.id def test_material(capi_init): m = openmc.capi.materials[3] assert m.nuclides == ['H1', 'O16', 'B10', 'B11'] old_dens = m.densities test_dens = [1.0e-1, 2.0e-1, 2.5e-1, 1.0e-3] m.set_densities(m.nuclides, test_dens) assert m.densities == pytest.approx(test_dens) rho = 2.25e-2 m.set_density(rho) assert sum(m.densities) == pytest.approx(rho) def test_new_material(capi_init): with pytest.raises(exc.AllocationError): openmc.capi.Material(1) new_mat = openmc.capi.Material() new_mat_with_id = openmc.capi.Material(10) assert len(openmc.capi.materials) == 5 def test_nuclide_mapping(capi_init): nucs = openmc.capi.nuclides assert isinstance(nucs, Mapping) assert len(nucs) == 12 for name, nuc in nucs.items(): assert isinstance(nuc, openmc.capi.Nuclide) assert name == nuc.name def test_load_nuclide(capi_init): openmc.capi.load_nuclide('Pu239') with pytest.raises(exc.DataError): openmc.capi.load_nuclide('Pu3') def test_settings(capi_init): settings = openmc.capi.settings assert settings.batches == 10 settings.batches = 10 assert settings.inactive == 5 assert settings.generations_per_batch == 1 assert settings.particles == 100 assert settings.seed == 1 settings.seed = 11 assert settings.run_mode == 'eigenvalue' settings.run_mode = 'volume' settings.run_mode = 'eigenvalue' def test_tally_mapping(capi_init): tallies = openmc.capi.tallies assert isinstance(tallies, Mapping) assert len(tallies) == 2 for tally_id, tally in tallies.items(): assert isinstance(tally, openmc.capi.Tally) assert tally_id == tally.id def test_tally(capi_init): t = openmc.capi.tallies[1] t.id = 1 assert len(t.filters) == 2 assert isinstance(t.filters[0], openmc.capi.MaterialFilter) assert isinstance(t.filters[1], openmc.capi.EnergyFilter) # Create new filter and replace existing with pytest.raises(exc.AllocationError): openmc.capi.MaterialFilter(uid=1) mats = openmc.capi.materials f = openmc.capi.MaterialFilter([mats[2], mats[1]]) t.filters = [f] assert t.filters == [f] assert t.nuclides == ['U235', 'U238'] with pytest.raises(exc.DataError): t.nuclides = ['Zr2'] t.nuclides = ['U234', 'Zr90'] assert t.nuclides == ['U234', 'Zr90'] assert t.scores == ['total', '(n,elastic)', '(n,gamma)'] new_scores = ['scatter', 'fission', 'nu-fission', '(n,2n)'] t.scores = new_scores assert t.scores == new_scores assert not t.active t.active = True assert t.active t2 = openmc.capi.tallies[2] t2.id = 2 assert len(t2.filters) == 2 assert isinstance(t2.filters[0], openmc.capi.ZernikeFilter) assert isinstance(t2.filters[1], openmc.capi.CellFilter) assert len(t2.filters[1].bins) == 3 assert t2.filters[0].order == 5 def test_new_tally(capi_init): with pytest.raises(exc.AllocationError): openmc.capi.Material(1) new_tally = openmc.capi.Tally() new_tally.scores = ['flux'] new_tally_with_id = openmc.capi.Tally(10) new_tally_with_id.scores = ['flux'] assert len(openmc.capi.tallies) == 4 def test_tally_results(capi_run): t = openmc.capi.tallies[1] assert t.num_realizations == 10 # t was made active in test_tally assert np.all(t.mean >= 0) nonzero = (t.mean > 0.0) assert np.all(t.std_dev[nonzero] >= 0) assert np.all(t.ci_width()[nonzero] >= 1.95*t.std_dev[nonzero]) t2 = openmc.capi.tallies[2] n = 5 assert t2.mean.size == (n + 1) * (n + 2) // 2 * 3 # Number of Zernike coeffs * 3 cells def test_global_tallies(capi_run): assert openmc.capi.num_realizations() == 5 gt = openmc.capi.global_tallies() for mean, std_dev in gt: assert mean >= 0 def test_statepoint(capi_run): openmc.capi.statepoint_write('test_sp.h5') assert os.path.exists('test_sp.h5') def test_source_bank(capi_run): source = openmc.capi.source_bank() assert np.all(source['E'] > 0.0) assert np.all(source['wgt'] == 1.0) def test_by_batch(capi_run): openmc.capi.hard_reset() # Running next batch before simulation is initialized should raise an # exception with pytest.raises(exc.AllocationError): openmc.capi.next_batch() openmc.capi.simulation_init() for _ in openmc.capi.iter_batches(): # Make sure we can get k-effective during inactive/active batches mean, std_dev = openmc.capi.keff() assert 0.0 < mean < 2.5 assert std_dev > 0.0 assert openmc.capi.num_realizations() == 5 for i in range(3): openmc.capi.next_batch() assert openmc.capi.num_realizations() == 8 openmc.capi.simulation_finalize() def test_reproduce_keff(capi_init): # Get k-effective after run openmc.capi.hard_reset() openmc.capi.run() keff0 = openmc.capi.keff() # Reset, run again, and get k-effective again. they should match openmc.capi.hard_reset() openmc.capi.run() keff1 = openmc.capi.keff() assert keff0 == pytest.approx(keff1) def test_find_cell(capi_init): cell, instance = openmc.capi.find_cell((0., 0., 0.)) assert cell is openmc.capi.cells[1] cell, instance = openmc.capi.find_cell((0.4, 0., 0.)) assert cell is openmc.capi.cells[2] with pytest.raises(exc.GeometryError): openmc.capi.find_cell((100., 100., 100.)) def test_find_material(capi_init): mat = openmc.capi.find_material((0., 0., 0.)) assert mat is openmc.capi.materials[1] mat = openmc.capi.find_material((0.4, 0., 0.)) assert mat is openmc.capi.materials[2] def test_mesh(capi_init): mesh = openmc.capi.Mesh() mesh.dimension = (2, 3, 4) assert mesh.dimension == (2, 3, 4) with pytest.raises(exc.AllocationError): mesh2 = openmc.capi.Mesh(mesh.id) # Make sure each combination of parameters works ll = (0., 0., 0.) ur = (10., 10., 10.) width = (1., 1., 1.) mesh.set_parameters(lower_left=ll, upper_right=ur) assert mesh.lower_left == pytest.approx(ll) assert mesh.upper_right == pytest.approx(ur) mesh.set_parameters(lower_left=ll, width=width) assert mesh.lower_left == pytest.approx(ll) assert mesh.width == pytest.approx(width) mesh.set_parameters(upper_right=ur, width=width) assert mesh.upper_right == pytest.approx(ur) assert mesh.width == pytest.approx(width) meshes = openmc.capi.meshes assert isinstance(meshes, Mapping) assert len(meshes) == 1 for mesh_id, mesh in meshes.items(): assert isinstance(mesh, openmc.capi.Mesh) assert mesh_id == mesh.id mf = openmc.capi.MeshFilter(mesh) assert mf.mesh == mesh msf = openmc.capi.MeshSurfaceFilter(mesh) assert msf.mesh == mesh