From c1dd7df7dd83ff973ccbb2d080b3f686a48fe823 Mon Sep 17 00:00:00 2001 From: Adam Nelson Date: Sat, 15 Oct 2016 15:15:50 -0400 Subject: [PATCH] Increased MG mode test coverage from 63% to 74%. --- src/mgxs_header.F90 | 2 +- src/tally.F90 | 2 + tests/input_set.py | 85 +- tests/test_mg_basic/inputs_true.dat | 2 +- tests/test_mg_basic/results_true.dat | 2 +- tests/test_mg_max_order/inputs_true.dat | 2 +- tests/test_mg_max_order/results_true.dat | 2 +- tests/test_mg_max_order/test_mg_max_order.py | 75 +- tests/test_mg_nuclide/inputs_true.dat | 2 +- tests/test_mg_nuclide/results_true.dat | 2 +- tests/test_mg_nuclide/test_mg_nuclide.py | 73 +- tests/test_mg_tallies/inputs_true.dat | 2 +- tests/test_mg_tallies/results_true.dat | 3604 ++++-------------- tests/test_mg_tallies/test_mg_tallies.py | 58 +- 14 files changed, 819 insertions(+), 3094 deletions(-) diff --git a/src/mgxs_header.F90 b/src/mgxs_header.F90 index cbdf470b0..e22323858 100644 --- a/src/mgxs_header.F90 +++ b/src/mgxs_header.F90 @@ -1865,7 +1865,7 @@ module mgxs_header integer :: iazi, ipol, t - t = this % index_temp + t = this % index_temp if (present(uvw)) then call find_angle(this % polar, this % azimuthal, uvw, iazi, ipol) diff --git a/src/tally.F90 b/src/tally.F90 index 24c1b9495..b12bc0a97 100644 --- a/src/tally.F90 +++ b/src/tally.F90 @@ -1149,6 +1149,8 @@ contains ! Do same for nucxs, point it to the microscopic nuclide data of interest if (i_nuclide > 0) then nucxs => nuclides_MG(i_nuclide) % obj + ! And since we haven't calculated this temperature index yet, do so now + call nucxs % find_temperature(p % sqrtkT) end if i = 0 diff --git a/tests/input_set.py b/tests/input_set.py index 62c4abd5e..c62fc5914 100644 --- a/tests/input_set.py +++ b/tests/input_set.py @@ -728,60 +728,59 @@ class AssemblyInputSet(object): class MGInputSet(InputSet): - def build_default_materials_and_geometry(self): + def build_default_materials_and_geometry(self, reps=None, as_macro=True): # Define materials needed for 1D/1G slab problem - uo2_data = openmc.Macroscopic('uo2_iso') - uo2 = openmc.Material(name='UO2', material_id=1) - uo2.set_density('macro', 1.0) - uo2.add_macroscopic(uo2_data) + mat_names = ['uo2', 'clad', 'lwtr'] + mgxs_reps = ['ang', 'ang_mu', 'iso', 'iso_mu'] - clad_data = openmc.Macroscopic('clad_ang_mu') - clad = openmc.Material(name='Clad', material_id=2) - clad.set_density('macro', 1.0) - clad.add_macroscopic(clad_data) + if reps is None: + reps = mgxs_reps - water_data = openmc.Macroscopic('lwtr_iso_mu') - water = openmc.Material(name='LWTR', material_id=3) - water.set_density('macro', 1.0) - water.add_macroscopic(water_data) + xs = [] + mats = [] + i = 0 + for mat in mat_names: + for rep in reps: + i += 1 + if as_macro: + xs.append(openmc.Macroscopic(mat + '_' + rep)) + mats.append(openmc.Material(name=str(i))) + mats[-1].set_density('macro', 1.) + mats[-1].add_macroscopic(xs[-1]) + else: + xs.append(openmc.Nuclide(mat + '_' + rep)) + mats.append(openmc.Material(name=str(i))) + mats[-1].set_density('atom/b-cm', 1.) + mats[-1].add_nuclide(xs[-1].name, 1.0, 'ao') # Define the materials file. - self.materials += (uo2, clad, water) + self.xs_data = xs + self.materials += mats # Define surfaces. - # Assembly/Problem Boundary - left = openmc.XPlane(x0=0.0, surface_id=200, - boundary_type='reflective') - right = openmc.XPlane(x0=10.0, surface_id=201, - boundary_type='reflective') - bottom = openmc.YPlane(y0=0.0, surface_id=300, - boundary_type='reflective') - top = openmc.YPlane(y0=10.0, surface_id=301, - boundary_type='reflective') + left = openmc.XPlane(x0=0.0, boundary_type='reflective') + right = openmc.XPlane(x0=10.0, boundary_type='reflective') + bottom = openmc.YPlane(y0=0.0, boundary_type='reflective') + top = openmc.YPlane(y0=10.0, boundary_type='reflective') + # for each material add a plane + planes = [openmc.ZPlane(z0=0.0, boundary_type='reflective')] + dz = 5. / float(len(mats)) + for i in range(len(mats) - 1): + planes.append(openmc.ZPlane(z0=dz * (i + 1))) + planes.append(openmc.ZPlane(z0=5.0, boundary_type='reflective')) - down = openmc.ZPlane(z0=0.0, surface_id=0, - boundary_type='reflective') - fuel_clad_intfc = openmc.ZPlane(z0=2.0, surface_id=1) - clad_lwtr_intfc = openmc.ZPlane(z0=2.4, surface_id=2) - up = openmc.ZPlane(z0=5.0, surface_id=3, - boundary_type='reflective') - - # Define cells - c1 = openmc.Cell(cell_id=1) - c1.region = +left & -right & +bottom & -top & +down & -fuel_clad_intfc - c1.fill = uo2 - c2 = openmc.Cell(cell_id=2) - c2.region = +left & -right & +bottom & -top & +fuel_clad_intfc & -clad_lwtr_intfc - c2.fill = clad - c3 = openmc.Cell(cell_id=3) - c3.region = +left & -right & +bottom & -top & +clad_lwtr_intfc & -up - c3.fill = water + # Define cells for each material + cells = [] + xy = +left & -right & +bottom & -top + for i, mat in enumerate(mats): + cells.append(openmc.Cell()) + cells[-1].region = xy & +planes[i] & -planes[i + 1] + cells[-1].fill = mat # Define root universe. root = openmc.Universe(universe_id=0, name='root universe') - - root.add_cells((c1, c2, c3)) + root.add_cells(cells) # Assign root universe to geometry self.geometry.root_universe = root @@ -791,7 +790,7 @@ class MGInputSet(InputSet): self.settings.inactive = 5 self.settings.particles = 100 self.settings.source = Source(space=Box([0.0, 0.0, 0.0], - [10.0, 10.0, 2.0])) + [10.0, 10.0, 5.])) self.settings.energy_mode = "multi-group" self.settings.cross_sections = "../1d_mgxs.h5" diff --git a/tests/test_mg_basic/inputs_true.dat b/tests/test_mg_basic/inputs_true.dat index e44aa66a5..31673c133 100644 --- a/tests/test_mg_basic/inputs_true.dat +++ b/tests/test_mg_basic/inputs_true.dat @@ -1 +1 @@ -002fff0d8ba33340c9039f7650ece41bd26324d2e5c2816acc232adb298ae9dbd0873c5e28520df33ebe5af4c58e2ad338547ca337b2b42f53d255bff1ae314b \ No newline at end of file +c657f05432d9668f56e671a463ba08aed47103a33072d3f893146ff24fce6711ec41ba49c7d14a70b076cccb9a526375a4d8c1241e64e8167b8e0e876ae6655c \ No newline at end of file diff --git a/tests/test_mg_basic/results_true.dat b/tests/test_mg_basic/results_true.dat index 7cdda73b5..a367c6026 100644 --- a/tests/test_mg_basic/results_true.dat +++ b/tests/test_mg_basic/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.047136E+00 2.765964E-02 +1.034509E+00 4.099331E-02 diff --git a/tests/test_mg_max_order/inputs_true.dat b/tests/test_mg_max_order/inputs_true.dat index 9b5d32ce6..375a7fe21 100644 --- a/tests/test_mg_max_order/inputs_true.dat +++ b/tests/test_mg_max_order/inputs_true.dat @@ -1 +1 @@ -8752d3167989d876c6f29b4b1ca7eed4b91793d8579c92de85633fd90235c67d63ee76d49081006047e0078f6f86eb6e3420c1f8fe44564e7a1fb62e828587d0 \ No newline at end of file +b4adeb6b98d1d6310484c6623dde61ccfb02e0b8b9422c60d94cb65e556f3e2744c94cb3661a94aa365964acb463a6bd93cddf2dd954bfc36e316335b4a058f3 \ No newline at end of file diff --git a/tests/test_mg_max_order/results_true.dat b/tests/test_mg_max_order/results_true.dat index 4db04e089..1fa95fb90 100644 --- a/tests/test_mg_max_order/results_true.dat +++ b/tests/test_mg_max_order/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.102093E+00 4.962190E-02 +1.099449E+00 1.956787E-02 diff --git a/tests/test_mg_max_order/test_mg_max_order.py b/tests/test_mg_max_order/test_mg_max_order.py index da699316c..8c7948a32 100644 --- a/tests/test_mg_max_order/test_mg_max_order.py +++ b/tests/test_mg_max_order/test_mg_max_order.py @@ -2,83 +2,26 @@ import os import sys + sys.path.insert(0, os.pardir) -from testing_harness import TestHarness, PyAPITestHarness +from testing_harness import PyAPITestHarness from input_set import MGInputSet -import openmc -class MGNuclideInputSet(MGInputSet): - def build_default_materials_and_geometry(self): - # Define materials needed for 1D/1G slab problem - uo2_data = openmc.Macroscopic('uo2_iso') - uo2 = openmc.Material(name='UO2', material_id=1) - uo2.set_density('macro', 1.0) - uo2.add_macroscopic(uo2_data) - - clad_data = openmc.Macroscopic('clad_iso') - clad = openmc.Material(name='Clad', material_id=2) - clad.set_density('macro', 1.0) - clad.add_macroscopic(clad_data) - - water_data = openmc.Macroscopic('lwtr_iso') - water = openmc.Material(name='LWTR', material_id=3) - water.set_density('macro', 1.0) - water.add_macroscopic(water_data) - - # Define the materials file. - self.materials += (uo2, clad, water) - - # Define surfaces. - - # Assembly/Problem Boundary - left = openmc.XPlane(x0=0.0, surface_id=200, - boundary_type='reflective') - right = openmc.XPlane(x0=10.0, surface_id=201, - boundary_type='reflective') - bottom = openmc.YPlane(y0=0.0, surface_id=300, - boundary_type='reflective') - top = openmc.YPlane(y0=10.0, surface_id=301, - boundary_type='reflective') - - down = openmc.ZPlane(z0=0.0, surface_id=0, - boundary_type='reflective') - fuel_clad_intfc = openmc.ZPlane(z0=2.0, surface_id=1) - clad_lwtr_intfc = openmc.ZPlane(z0=2.4, surface_id=2) - up = openmc.ZPlane(z0=5.0, surface_id=3, - boundary_type='reflective') - - # Define cells - c1 = openmc.Cell(cell_id=1) - c1.region = +left & -right & +bottom & -top & +down & -fuel_clad_intfc - c1.fill = uo2 - c2 = openmc.Cell(cell_id=2) - c2.region = +left & -right & +bottom & -top & +fuel_clad_intfc & -clad_lwtr_intfc - c2.fill = clad - c3 = openmc.Cell(cell_id=3) - c3.region = +left & -right & +bottom & -top & +clad_lwtr_intfc & -up - c3.fill = water - - # Define root universe. - root = openmc.Universe(universe_id=0, name='root universe') - - root.add_cells((c1,c2,c3)) - - # Define the geometry file. - geometry = openmc.Geometry() - geometry.root_universe = root - - self.geometry = geometry class MGMaxOrderTestHarness(PyAPITestHarness): def __init__(self, statepoint_name, tallies_present, mg=False): PyAPITestHarness.__init__(self, statepoint_name, tallies_present) - self._input_set = MGNuclideInputSet() + self._input_set = MGInputSet() def _build_inputs(self): + """Write input XML files.""" + reps = ['iso'] + self._input_set.build_default_materials_and_geometry(reps=reps) + self._input_set.build_default_settings() # Set P1 scattering self._input_set.settings.max_order = 1 - # Call standard input build - super(MGMaxOrderTestHarness, self)._build_inputs() + self._input_set.export() + if __name__ == '__main__': harness = MGMaxOrderTestHarness('statepoint.10.*', False, mg=True) diff --git a/tests/test_mg_nuclide/inputs_true.dat b/tests/test_mg_nuclide/inputs_true.dat index 93de08656..5950ad3e4 100644 --- a/tests/test_mg_nuclide/inputs_true.dat +++ b/tests/test_mg_nuclide/inputs_true.dat @@ -1 +1 @@ -10b64fa97cc4feb1b1b8ba401b25b68ab682aba55ad4303a76a9a293ae79cdfff2f65d74310eb917da0aac243c24713d91eafae7ec5f0c4ae535d49fc928a869 \ No newline at end of file +130e51d00cd4c00be14b4e722c285ef5725f7f7a25361f48524dc51bb70c0869149adb839199915fe6193273cb957414c073be2a9fda3ed03754967571b73f68 \ No newline at end of file diff --git a/tests/test_mg_nuclide/results_true.dat b/tests/test_mg_nuclide/results_true.dat index 7cdda73b5..a367c6026 100644 --- a/tests/test_mg_nuclide/results_true.dat +++ b/tests/test_mg_nuclide/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.047136E+00 2.765964E-02 +1.034509E+00 4.099331E-02 diff --git a/tests/test_mg_nuclide/test_mg_nuclide.py b/tests/test_mg_nuclide/test_mg_nuclide.py index 89694eea2..b94af258f 100644 --- a/tests/test_mg_nuclide/test_mg_nuclide.py +++ b/tests/test_mg_nuclide/test_mg_nuclide.py @@ -2,81 +2,22 @@ import os import sys + sys.path.insert(0, os.pardir) -from testing_harness import TestHarness, PyAPITestHarness +from testing_harness import PyAPITestHarness from input_set import MGInputSet -import openmc -class MGNuclideInputSet(MGInputSet): - def build_default_materials_and_geometry(self): - # Define materials needed for 1D/1G slab problem - # This time do using nuclide, not macroscopic - uo2 = openmc.Material(name='UO2', material_id=1) - uo2.set_density('sum', 1.0) - uo2.add_nuclide("uo2_iso", 1.0) - - clad = openmc.Material(name='Clad', material_id=2) - clad.set_density('sum', 1.0) - clad.add_nuclide("clad_ang_mu", 1.0) - - # water_data = openmc.Nuclide('lwtr_iso_mu', '71c') - water = openmc.Material(name='LWTR', material_id=3) - water.set_density('sum', 1.0) - water.add_nuclide("lwtr_iso_mu", 1.0) - - # Define the materials file. - self.materials.default_xs = '71c' - self.materials += (uo2, clad, water) - - # Define surfaces. - - # Assembly/Problem Boundary - left = openmc.XPlane(x0=0.0, surface_id=200, - boundary_type='reflective') - right = openmc.XPlane(x0=10.0, surface_id=201, - boundary_type='reflective') - bottom = openmc.YPlane(y0=0.0, surface_id=300, - boundary_type='reflective') - top = openmc.YPlane(y0=10.0, surface_id=301, - boundary_type='reflective') - - down = openmc.ZPlane(z0=0.0, surface_id=0, - boundary_type='reflective') - fuel_clad_intfc = openmc.ZPlane(z0=2.0, surface_id=1) - clad_lwtr_intfc = openmc.ZPlane(z0=2.4, surface_id=2) - up = openmc.ZPlane(z0=5.0, surface_id=3, - boundary_type='reflective') - - # Define cells - c1 = openmc.Cell(cell_id=1) - c1.region = +left & -right & +bottom & -top & +down & -fuel_clad_intfc - c1.fill = uo2 - c2 = openmc.Cell(cell_id=2) - c2.region = +left & -right & +bottom & -top & +fuel_clad_intfc & -clad_lwtr_intfc - c2.fill = clad - c3 = openmc.Cell(cell_id=3) - c3.region = +left & -right & +bottom & -top & +clad_lwtr_intfc & -up - c3.fill = water - - # Define root universe. - root = openmc.Universe(universe_id=0, name='root universe') - - root.add_cells((c1,c2,c3)) - - # Define the geometry file. - geometry = openmc.Geometry() - geometry.root_universe = root - - self.geometry = geometry class MGNuclideTestHarness(PyAPITestHarness): def __init__(self, statepoint_name, tallies_present, mg=False): PyAPITestHarness.__init__(self, statepoint_name, tallies_present) - self._input_set = MGNuclideInputSet() + self._input_set = MGInputSet() def _build_inputs(self): - super(MGNuclideTestHarness, self)._build_inputs() - + """Write input XML files.""" + self._input_set.build_default_materials_and_geometry(as_macro=False) + self._input_set.build_default_settings() + self._input_set.export() if __name__ == '__main__': diff --git a/tests/test_mg_tallies/inputs_true.dat b/tests/test_mg_tallies/inputs_true.dat index ca92dcb09..6e1b5dd62 100644 --- a/tests/test_mg_tallies/inputs_true.dat +++ b/tests/test_mg_tallies/inputs_true.dat @@ -1 +1 @@ -615fe0688980afc02bc11f41ac065b9479d2f6618acf6d20fcb91cd78209aed1d8fbaf73b06f153368a16aa90249d6d3ce06f840d9071a40b2118d36178fd84f \ No newline at end of file +051fcc001b79dc016d74e339348e75d1dab0338f3246643fb0032a928dd3660574543e23a6f428ee3b1b174e7e5a9aa64b27a795fa42c80068d13e98cf42a294 \ No newline at end of file diff --git a/tests/test_mg_tallies/results_true.dat b/tests/test_mg_tallies/results_true.dat index cb0498e51..09a041c7d 100644 --- a/tests/test_mg_tallies/results_true.dat +++ b/tests/test_mg_tallies/results_true.dat @@ -1,2906 +1,712 @@ k-combined: -1.047136E+00 2.765964E-02 +1.034509E+00 4.099331E-02 tally 1: -2.490837E+00 -1.335515E+00 -8.299408E-02 -1.628477E-03 -3.917892E+00 -3.395475E+00 -3.777816E-02 -3.574150E-04 -9.366009E-02 -2.196850E-03 -2.099094E+00 -8.919271E-01 -7.540489E-02 -1.194829E-03 -3.366752E+00 -2.321133E+00 -3.536709E-02 -2.711517E-04 -8.768256E-02 -1.666633E-03 -2.667561E+00 -1.528159E+00 -6.981409E-02 -1.036744E-03 -3.696781E+00 -2.912439E+00 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1] + mesh.dimension = [1, 1, 10] mesh.lower_left = [0.0, 0.0, 0.0] - mesh.upper_right = [21.42, 21.42, 100.0] + mesh.upper_right = [10, 10, 5] # Instantiate some tally filters energy_filter = openmc.EnergyFilter([0.0, 20.0]) energyout_filter = openmc.EnergyoutFilter([0.0, 20.0]) mesh_filter = openmc.MeshFilter(mesh) - mat_filter = openmc.MaterialFilter([1,2,3]) + mat_ids = [mat.id for mat in self._input_set.materials] + mat_filter = openmc.MaterialFilter(mat_ids) - tally1 = openmc.Tally(tally_id=1) - tally1.filters = [mesh_filter] - tally1.scores = ['total', 'absorption', 'flux', - 'fission', 'nu-fission'] + tallies = [] - tally2 = openmc.Tally(tally_id=2) - tally2.filters = [mat_filter, energy_filter, energyout_filter] - tally2.scores = ['scatter', 'nu-scatter'] + tallies.append(openmc.Tally()) + tallies[-1].filters = [mesh_filter] + tallies[-1].estimator = 'analog' + tallies[-1].scores = ['total', 'absorption', 'flux', + 'fission', 'nu-fission'] - self._input_set.tallies = openmc.Tallies([tally1, tally2]) + tallies.append(openmc.Tally()) + tallies[-1].filters = [mesh_filter] + tallies[-1].estimator = 'tracklength' + tallies[-1].scores = ['total', 'absorption', 'flux', + 'fission', 'nu-fission'] - super(MGTalliesTestHarness, self)._build_inputs() + tallies.append(openmc.Tally()) + tallies[-1].filters = [mat_filter, energy_filter] + tallies[-1].estimator = 'analog' + tallies[-1].scores = ['total', 'absorption', 'flux', + 'fission', 'nu-fission', 'scatter', + 'nu-scatter'] + + tallies.append(openmc.Tally()) + tallies[-1].filters = [mat_filter, energy_filter] + tallies[-1].estimator = 'collision' + tallies[-1].scores = ['total', 'absorption', 'flux', + 'fission', 'nu-fission'] + + tallies.append(openmc.Tally()) + tallies[-1].filters = [mat_filter, energy_filter] + tallies[-1].estimator = 'tracklength' + tallies[-1].scores = ['total', 'absorption', 'flux', + 'fission', 'nu-fission', 'scatter'] + + tallies.append(openmc.Tally()) + tallies[-1].filters = [mat_filter, energy_filter, + energyout_filter] + tallies[-1].scores = ['scatter', 'nu-scatter', 'nu-fission'] + + self._input_set.tallies = openmc.Tallies(tallies) + + self._input_set.export() def _cleanup(self): super(MGTalliesTestHarness, self)._cleanup()