diff --git a/doc/io_formats/depcode_input.rst b/doc/io_formats/depcode_input.rst
index 1d2714f51..7baf80643 100644
--- a/doc/io_formats/depcode_input.rst
+++ b/doc/io_formats/depcode_input.rst
@@ -366,23 +366,6 @@ OpenMC-specific properties
``null``
-``dilute_initial``
-~~~~~~~~~~~~~~~~~~
-
- :description:
- Initial atom density to add for nuclides that are zero in initial
- condition.
-
- :type:
- ``number``
-
- :minimum:
- 0
-
- :default:
- 1000
-
-
``fission_yield_mode``
~~~~~~~~~~~~~~~~~~~~~~
diff --git a/saltproc/input_schema.json b/saltproc/input_schema.json
index 3dd9ab501..fcd50fbbb 100644
--- a/saltproc/input_schema.json
+++ b/saltproc/input_schema.json
@@ -216,11 +216,6 @@
"description": "Path to fission Q values",
"type": ["string", "null"],
"default": null},
- "dilute_initial": {
- "description": "Initial atom density to add for nuclides that are zero in initial condition.",
- "type": "number",
- "minimum": 0,
- "default": 1000},
"fission_yield_mode": {
"description": "Determine what fission energy helper is used",
"type": "string",
diff --git a/saltproc/openmc_depcode.py b/saltproc/openmc_depcode.py
index 08c763ddb..8b63c5c15 100644
--- a/saltproc/openmc_depcode.py
+++ b/saltproc/openmc_depcode.py
@@ -444,12 +444,7 @@ def write_runtime_input(self, reactor, depletion_step, restart):
self.inactive_cycles = settings.inactive
self.active_cycles = settings.batches - self.inactive_cycles
- diluted_model = openmc.Model(materials=materials, geometry=geometry, settings=settings)
- reactions, diluted_materials = MicroXS._add_dilute_nuclides(self.chain_file_path,
- diluted_model,
- 1e3)
-
- diluted_materials.export_to_xml(self.runtime_matfile)
+ materials.export_to_xml(self.runtime_matfile)
geometry.export_to_xml(self.runtime_inputfile['geometry'])
settings.export_to_xml(self.runtime_inputfile['settings'])
self.write_depletion_settings(reactor, depletion_step)
diff --git a/saltproc/results.py b/saltproc/results.py
index 8d14530c0..179e98406 100644
--- a/saltproc/results.py
+++ b/saltproc/results.py
@@ -8,7 +8,10 @@ class Results():
Parameters
----------
- path
+ path : str
+ Path of results file
+ load_in_out_streams : bool
+ Switch on whether or not to load waste streams.
Attributes
----------
@@ -28,15 +31,25 @@ class Results():
power_level : numpy.ndarray
Power in [W].
beta_eff : numpy.ndarray
- ...
+ Timeseries of delayed neutron fractions.
lambda_eff : numpy.ndarray
- ...
- depcode_metadata : ...
- depletion_step_metadata : ...
- nuclide_ids : ...
- material_composition : ...
- material_parameters : ...
- waste_streams : ...
+ Timesereis of delayed neutron precursor decay constants.
+ depcode_metadata : dict of str to object
+ Depletion code metadata, such as depletion code name, version, etc.
+ depletion_step_metadata : dict of str to object
+ Depletion step metadata, such as step runtime, memory usage, etc.
+ nuclide_idx : dict of str to int
+ A dictionary mapping nuclide name as a string to index.
+ material_composition : dict of str to numpy.ndarray
+ A dictionary mapping material name as a string to nuclide composition
+ over time.
+ material_parameters : dict of str to object
+ A dictionary mapping material name as a string to material parameters
+ (density, volume, burnup, etc.)
+ waste_streams : dict of str to dict
+ A dictionary mapping material name as a string to a dictionary mapping
+ waste stream names as a string to the waste streams mass [g] as a
+ timeseries.
"""
def __init__(self, path, load_in_out_streams=True):
@@ -59,10 +72,6 @@ def __init__(self, path, load_in_out_streams=True):
# metadata
self.depcode_metadata = self._collect_metadata(f, 'depcode_metadata')
self.depletion_step_metadata = self._collect_metadata(f, 'depletion_step_metadata', array=True)
- #metadata = pd.DataFrame.from_records(metadata[:]).to_dict()
- #for key, value in metadata.items():
- # metadata[key] = value[0#]
- ##self.depcode_metadata = metadata
# Materials
materials = root.materials
@@ -171,6 +180,23 @@ def _collect_waste_streams(self, waste_stream, stream_name):
# methods to get timeseries of various values
def get_nuclide_mass(self, material, nuclide, timestep=None):
+ """Get nuclide mass as a timeseries. If :attr:`timestep` is `None`,
+ then return the mass at all times.
+
+ Parameters
+ ----------
+ material : str
+ Material name
+ nuclide : str
+ Nuclide string (e.g. 'U235')
+ timestep : idx
+ Timestep index
+
+ Returns
+ -------
+ nuclide_mass : numpy.ndarray
+
+ """
nucmap = self.nuclide_idx[material]
comp = self.material_composition[material]
nuclide_mass = comp[nucmap[nuclide]]
diff --git a/tests/conftest.py b/tests/conftest.py
index ff149a8c5..1e8786334 100644
--- a/tests/conftest.py
+++ b/tests/conftest.py
@@ -1,10 +1,23 @@
from pathlib import Path
import pytest
+from tests.integration_tests import config as integration_config
+
from saltproc.app import read_main_input, _create_depcode_object, _create_simulation_object, _create_reactor_object
from saltproc import Simulation
+def pytest_addoption(parser):
+ parser.addoption('--update', action='store_true')
+
+
+def pytest_configure(config):
+ opts = ['update']
+ for opt in opts:
+ if config.getoption(opt) is not None:
+ integration_config[opt] = config.getoption(opt)
+
+
@pytest.fixture(scope='session')
def cwd():
return Path(__file__).parents[0]
diff --git a/tests/integration_tests/__init__.py b/tests/integration_tests/__init__.py
new file mode 100644
index 000000000..7a5c24d31
--- /dev/null
+++ b/tests/integration_tests/__init__.py
@@ -0,0 +1,3 @@
+config = {
+ 'update': False
+}
diff --git a/tests/integration_tests/run_constant_reprocessing_openmc/pincell_reference_results.h5 b/tests/integration_tests/run_constant_reprocessing_openmc/pincell_reference_results.h5
index d5fa687bf..943d3f336 100644
Binary files a/tests/integration_tests/run_constant_reprocessing_openmc/pincell_reference_results.h5 and b/tests/integration_tests/run_constant_reprocessing_openmc/pincell_reference_results.h5 differ
diff --git a/tests/integration_tests/run_constant_reprocessing_openmc/test.py b/tests/integration_tests/run_constant_reprocessing_openmc/test.py
index 68e066814..5ef3ef2a4 100644
--- a/tests/integration_tests/run_constant_reprocessing_openmc/test.py
+++ b/tests/integration_tests/run_constant_reprocessing_openmc/test.py
@@ -1,4 +1,6 @@
"""Run SaltProc with reprocessing"""
+from tests.integration_tests import config
+
import os
import shutil
from pathlib import Path
@@ -35,12 +37,15 @@ def test_integration_2step_constant_ideal_removal_heavy(setup):
args,
check=True,
cwd=cwd,
- stdout=sys.stdout,
+ stdout=subprocess.DEVNULL,
stderr=subprocess.STDOUT)
+ if config['update']:
+ shutil.copyfile(test_db, ref_db)
+ return
np.testing.assert_allclose(read_keff(test_db), read_keff(ref_db), atol=atol)
assert_db_allclose(test_db, ref_db, atol, rtol)
- #shutil.rmtree(cwd / 'saltproc_runtime')
+ shutil.rmtree(cwd / 'saltproc_runtime')
def read_keff(file):
db = tb.open_file(file, mode='r')
diff --git a/tests/integration_tests/run_constant_reprocessing_serpent/test.py b/tests/integration_tests/run_constant_reprocessing_serpent/test.py
index f72e76c8c..7e03d2fc8 100644
--- a/tests/integration_tests/run_constant_reprocessing_serpent/test.py
+++ b/tests/integration_tests/run_constant_reprocessing_serpent/test.py
@@ -31,8 +31,9 @@ def test_integration_2step_constant_ideal_removal_heavy(setup):
args,
check=True,
cwd=cwd,
- stdout=sys.stdout,
+ stdout=subprocess.DEVNULL,
stderr=subprocess.STDOUT)
+
np.testing.assert_allclose(read_keff(test_db)[0], read_keff(ref_db)[0], rtol=5e-2)
np.testing.assert_allclose(read_keff(test_db)[1], read_keff(ref_db)[1], rtol=5e-1)
assert_db_allclose(test_db, ref_db, tol)
diff --git a/tests/integration_tests/run_no_reprocessing_openmc/ref_saltproc_results.h5 b/tests/integration_tests/run_no_reprocessing_openmc/ref_saltproc_results.h5
index 1b093b583..8a64b037e 100644
Binary files a/tests/integration_tests/run_no_reprocessing_openmc/ref_saltproc_results.h5 and b/tests/integration_tests/run_no_reprocessing_openmc/ref_saltproc_results.h5 differ
diff --git a/tests/integration_tests/run_no_reprocessing_openmc/reference_error b/tests/integration_tests/run_no_reprocessing_openmc/reference_error
index 5b2555c76..fcc71a0ed 100644
--- a/tests/integration_tests/run_no_reprocessing_openmc/reference_error
+++ b/tests/integration_tests/run_no_reprocessing_openmc/reference_error
@@ -1,421 +1,232 @@
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+-2.3701208494540843e-12
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+3.7318095362245225e-10
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+7.952793271820873e-13
+1.8781693770955076e-17
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+1.5045063436081735e-10
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+2.9737333211010003e-10
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+7.103815014888384e-15
+6.246945044367561e-11
+1.263076433061896e-11
+2.128286120832277e-11
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+-1.93291775733344e-11
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+2.028863398905383e-13
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+3.043873246834808e-13
+1.5996926841888497e-13
+9.096647179411245e-14
+6.989085141514259e-17
+8.236634772967325e-15
+4.732029264305888e-14
+3.820505425395893e-14
+1.2824368476930067e-14
+2.0623985790953217e-15
+1.2284278121600062e-16
+-6.5729087597434285e-15
+3.342779884556801e-15
+8.464561623698627e-17
+-8.162392655005332e-18
+3.515677906986006e-15
+3.071447175021852e-17
+2.0260602689211787e-17
+-4.261544429775526e-14
+-2.6743791681289347e-11
+2.916128448091082e-08
+-5.314554373525571e-07
+6.415356347960754e-07
+1.0529531572273734e-07
+-1.7628932642566042e-06
+1.1861845383141402e-08
+3.5560472104647697e-12
+3.822434678502136e-15
+1.6938561699725884e-08
+1.7728704420604463e-11
+9.990133581716466e-07
+-1.7129364305371126e-14
+6.620552491229667e-12
+4.910889738310757e-07
+7.402327398619843e-09
+1.4342486700991526e-10
+1.0423430907551459e-13
+2.060321634951517e-14
+3.5934513357509504e-17
+-1.9038296962987594e-17
+2.6237559647086758e-17
\ No newline at end of file
diff --git a/tests/integration_tests/run_no_reprocessing_openmc/test_openmc.py b/tests/integration_tests/run_no_reprocessing_openmc/test_openmc.py
index 9e8e52532..b505248bc 100644
--- a/tests/integration_tests/run_no_reprocessing_openmc/test_openmc.py
+++ b/tests/integration_tests/run_no_reprocessing_openmc/test_openmc.py
@@ -1,4 +1,6 @@
"""Run SaltProc without reprocessing"""
+from tests.integration_tests import config
+
import sys
import shutil
from pathlib import Path
@@ -8,8 +10,7 @@
import tables as tb
import subprocess
-from openmc.deplete import Results
-from saltproc import app
+from saltproc import app, Results
@pytest.mark.slow
def test_integration_2step_saltproc_no_reproc_heavy():
@@ -19,18 +20,38 @@ def test_integration_2step_saltproc_no_reproc_heavy():
args,
check=True,
cwd=cwd,
- stdout=sys.stdout,
+ stdout=subprocess.DEVNULL,
stderr=subprocess.STDOUT)
- ref_results = tb.File('ref_saltproc_results.h5')
- test_results = tb.File('saltproc_runtime/saltproc_results.h5')
-
- ref_mdens_error = np.loadtxt('reference_error')
-
- ref_fuel_mdens = ref_results.root.materials.fuel.before_reproc.comp[-1]
- test_fuel_mdens = test_results.root.materials.fuel.before_reproc.comp[-1]
-
- test_mdens_error = np.array(ref_fuel_mdens) - np.array(test_fuel_mdens)
- np.testing.assert_array_almost_equal(test_mdens_error, ref_mdens_error)
-
- shutil.rmtree('saltproc_runtime')
+ ref_path = cwd + '/ref_saltproc_results.h5'
+ test_path = cwd + '/saltproc_runtime/saltproc_results.h5'
+ if config['update']:
+ shutil.copyfile(test_path, ref_path)
+
+ ref_results = Results(ref_path, load_in_out_streams=False)
+ test_results = Results(test_path, load_in_out_streams=False)
+
+ def _get_nucs(res):
+ nucs = res.nuclide_idx['fuel']
+ mass = []
+ for nuc in nucs:
+ m = res.get_nuclide_mass('fuel', nuc, -1)
+ if np.abs(m) > 1e-15:
+ mass += [m]
+ return mass
+ ref_fuel_mass = _get_nucs(ref_results)
+ test_fuel_mass = _get_nucs(test_results)
+
+ test_mass_error = np.array(ref_fuel_mass) - np.array(test_fuel_mass)
+ with open(cwd + '/test_error', mode='w') as f:
+ test_mass_error.tofile(f, sep='\n')
+
+ if config['update']:
+ with open(cwd + '/reference_error', mode='w') as f:
+ test_mass_error.tofile(f, sep='\n')
+ return
+
+ ref_mass_error = np.loadtxt(cwd + '/reference_error')
+ np.testing.assert_array_almost_equal(test_mass_error, ref_mass_error)
+
+ shutil.rmtree(cwd + '/saltproc_runtime')
diff --git a/tests/integration_tests/run_no_reprocessing_serpent/test_serpent.py b/tests/integration_tests/run_no_reprocessing_serpent/test_serpent.py
index bdf08c6a0..b5992e64a 100644
--- a/tests/integration_tests/run_no_reprocessing_serpent/test_serpent.py
+++ b/tests/integration_tests/run_no_reprocessing_serpent/test_serpent.py
@@ -18,18 +18,23 @@ def test_integration_2step_saltproc_no_reproc_heavy():
args,
check=True,
cwd=cwd,
- stdout=sys.stdout,
+ stdout=subprocess.DEVNULL,
stderr=subprocess.STDOUT)
- ref_result = serpentTools.read(cwd + '/reference_dep.m')
- test_result = serpentTools.read(cwd + '/saltproc_runtime/step_1_data/runtime_input.serpent_dep.m')
+ test_path = cwd + '/saltproc_runtime/step_1_data/runtime_input.serpent_dep.m'
+ ref_path = cwd + '/reference_dep.m'
+
+ ref_result = serpentTools.read(ref_path)
+ test_result = serpentTools.read(test_path)
- ref_mdens_error = np.loadtxt(cwd + '/reference_error')
ref_fuel_mdens = ref_result.materials['fuel'].mdens[:, -2]
test_fuel_mdens = test_result.materials['fuel'].mdens[:, -1]
test_mdens_error = np.array(ref_fuel_mdens - test_fuel_mdens)
+
+ ref_mdens_error = np.loadtxt(cwd + '/reference_error')
+
np.testing.assert_array_almost_equal(test_mdens_error, ref_mdens_error)
shutil.rmtree(cwd + '/saltproc_runtime')
diff --git a/tests/openmc_data/depletion_settings.json b/tests/openmc_data/depletion_settings.json
index 5a0a6c7d3..bd8bd1bc5 100644
--- a/tests/openmc_data/depletion_settings.json
+++ b/tests/openmc_data/depletion_settings.json
@@ -3,7 +3,6 @@
"fission_q": "serpent_fissq.json",
"diff_burnable_mats": false,
"normalization_mode": "fission-q",
- "dilute_initial": 1000,
"fission_yield_mode": "constant",
"fission_yield_opts": null,
"reaction_rate_mode": "direct",
diff --git a/tests/openmc_data/msbr_geometry_base.xml b/tests/openmc_data/msbr_geometry_base.xml
index 259d3d628..8e4524714 100644
--- a/tests/openmc_data/msbr_geometry_base.xml
+++ b/tests/openmc_data/msbr_geometry_base.xml
@@ -1,319 +1,319 @@
-
+
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10.16 10.16
45 45
@@ -373,600 +373,600 @@
9 10
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diff --git a/tests/openmc_data/msbr_geometry_switch.xml b/tests/openmc_data/msbr_geometry_switch.xml
index b393d870e..4544c2386 100644
--- a/tests/openmc_data/msbr_geometry_switch.xml
+++ b/tests/openmc_data/msbr_geometry_switch.xml
@@ -1,308 +1,308 @@
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diff --git a/tests/openmc_data/msbr_materials_ao.xml b/tests/openmc_data/msbr_materials_ao.xml
index 90892be5d..f629d69ce 100644
--- a/tests/openmc_data/msbr_materials_ao.xml
+++ b/tests/openmc_data/msbr_materials_ao.xml
@@ -1,4 +1,4 @@
-
+
diff --git a/tests/openmc_data/msbr_materials_nameless.xml b/tests/openmc_data/msbr_materials_nameless.xml
index a6209d41d..994dd96b5 100644
--- a/tests/openmc_data/msbr_materials_nameless.xml
+++ b/tests/openmc_data/msbr_materials_nameless.xml
@@ -1,4 +1,4 @@
-
+
diff --git a/tests/openmc_data/msbr_materials_wo.xml b/tests/openmc_data/msbr_materials_wo.xml
index ae04a68cc..4562c0224 100644
--- a/tests/openmc_data/msbr_materials_wo.xml
+++ b/tests/openmc_data/msbr_materials_wo.xml
@@ -1,4 +1,4 @@
-
+
diff --git a/tests/openmc_data/msbr_settings.xml b/tests/openmc_data/msbr_settings.xml
index aab04d40f..1a7702523 100644
--- a/tests/openmc_data/msbr_settings.xml
+++ b/tests/openmc_data/msbr_settings.xml
@@ -1,4 +1,4 @@
-
+
eigenvalue
1000
diff --git a/tests/unit_tests/__init__.py b/tests/unit_tests/__init__.py
new file mode 100644
index 000000000..e69de29bb