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Source code for saltproc.serpent_depcode

                  output_path,
                  exec_path,
                  template_input_file_path,
-                 geo_file_paths):
+                 geo_file_paths,
+                 zaid_convention):
         """Initialize a SerpentDepcode object.
 
            Parameters
@@ -129,10 +130,21 @@ 

Source code for saltproc.serpent_depcode

                Path to Serpent2 executable.
            template_input_file_path : str
                Path to user input file for Serpent2
-           geo_file_paths : str or list, optional
+           geo_file_paths : str or list
                Path to file that contains the reactor geometry.
                List of `str` if reactivity control by
                switching geometry is `On` or just `str` otherwise.
+           zaid_convention : str
+               ZAID naming convention for nuclide codes.
+
+               'serpent' - The third digit in ZA for nuclides in isomeric states
+               is 3 (e.g. 47310 for for Ag-110m).
+
+               'mcnp' - ZA = Z*1000 + A + (300 + 100*m). where m is the mth
+               isomeric state (e.g. 47510 for Ag-110m)
+
+               'nndc' - Identical to 'mcnp', except Am242m1 is 95242 and Am242
+               is 95642
 
         """
         super().__init__("serpent",
@@ -142,7 +154,8 @@ 

Source code for saltproc.serpent_depcode

                          geo_file_paths)
         self.runtime_inputfile = \
                          str((output_path / 'runtime_input.serpent').resolve())
-        self.runtime_matfile = str((output_path / 'runtime_mat.ini').resolve())
+ self.runtime_matfile = str((output_path / 'runtime_mat.ini').resolve()) + self.zaid_convention = zaid_convention
[docs] def get_neutron_settings(self, file_lines): """Get neutron settings (no. of neutrons per cycle, no. of active and @@ -252,20 +265,33 @@

Source code for saltproc.serpent_depcode

         """
 
         if '.' in str(nuc_code):
-            nuc_code = pyname.zzzaaa_to_id(int(nuc_code.split('.')[0]))
+            nuc_code = int(nuc_code.split('.')[0])
+            if self.zaid_convention == 'serpent':
+                nuc_code = pyname.zzzaaa_to_id(nuc_code)
+            if self.zaid_convention in ('mcnp', 'nndc'):
+                if self.zaid_convention == 'mcnp' and nuc_code in (95242, 95642):
+                    if nuc_code == 95242:
+                        nuc_code = 95642
+                    else:
+                        nuc_code = 95242
+                nuc_code = pyname.mcnp_to_id(nuc_code)
+
             zz = pyname.znum(nuc_code)
             aa = pyname.anum(nuc_code)
             aa_str = str(aa)
-            if aa > 300:
-                if zz > 76:
-                    aa_str = str(aa - 100) + 'm1'
-                    aa = aa - 100
-                else:
-                    aa_str = str(aa - 200) + 'm1'
-                    aa = aa - 200
-                nuc_zzaaam = str(zz) + str(aa) + '1'
-            elif aa == 0:
-                aa_str = 'nat'
+            if self.zaid_convention == 'serpent':
+                if aa > 300:
+                    if zz > 76:
+                        aa_str = str(aa - 100) + 'm1'
+                    else:
+                        aa_str = str(aa - 200) + 'm1'
+                elif aa == 0:
+                    aa_str = 'nat'
+            if self.zaid_convention in ('mcnp', 'nndc'):
+                mm = pyname.snum(nuc_code)
+                if mm != 0:
+                    aa_str = str(aa) + f'm{mm}'
+
             nuc_name = pyname.zz_name[zz] + aa_str
         else:
             meta_flag = pyname.snum(nuc_code)
@@ -310,10 +336,23 @@ 

Source code for saltproc.serpent_depcode

                     line = line.split()
                     nuc_code = line[2]
                     if '.' in str(nuc_code):
-                        nuc_code = pyname.zzzaaa_to_id(int(nuc_code.split('.')[0]))
-
-                    zzaaam = \
-                        self.convert_nuclide_code_to_zam(pyname.zzaaam(nuc_code))
+                        nuc_code = int(nuc_code.split('.')[0])
+                        # In MCNP format the ground state of Am-242 is 95242,
+                        # but PyNE seems to disagree
+                        if self.zaid_convention == 'serpent':
+                            nuc_code = pyname.zzzaaa_to_id(nuc_code)
+                            zzaaam = \
+                                self.convert_nuclide_code_to_zam(pyname.zzaaam(nuc_code))
+                        if self.zaid_convention == 'nndc' or self.zaid_convention == 'mcnp':
+                            if self.zaid_convention == 'mcnp' and nuc_code in (95242, 95642):
+                                if nuc_code == 95242:
+                                    nuc_code = 95642
+                                else:
+                                    nuc_code = 95242
+                            nuc_code = pyname.mcnp_to_id(nuc_code)
+                            zzaaam = pyname.zzaaam(nuc_code)
+                    else:
+                        zzaaam = int(nuc_code)
 
                     nuc_code_map.update({zzaaam: line[2]})
         return nuc_code_map
@@ -522,15 +561,15 @@

Source code for saltproc.serpent_depcode

 
         print('Running %s' % (self.codename))
         try:
-            subprocess.check_output(
+            subprocess.run(
                 args,
                 cwd=os.path.split(self.template_input_file_path)[0],
-                stderr=subprocess.STDOUT)
+                capture_output=True)
+            print('Finished Serpent2 Run')
         except subprocess.CalledProcessError as error:
             print(error.output.decode("utf-8"))
             raise RuntimeError('\n %s RUN FAILED\n see error message above'
-                               % (self.codename))
-        print('Finished Serpent2 Run')
+ % (self.codename))
[docs] def convert_nuclide_code_to_zam(self, nuc_code): """Converts nuclide code from Serpent2 format to zam format. diff --git a/master/_sources/fileformatspec/depcode_input.rst.txt b/master/_sources/fileformatspec/depcode_input.rst.txt index 015236acf..a00acec66 100644 --- a/master/_sources/fileformatspec/depcode_input.rst.txt +++ b/master/_sources/fileformatspec/depcode_input.rst.txt @@ -95,6 +95,22 @@ Serpent-specific properties :pattern: ``^(.\\/)*(.*)$`` +``zaid_convention`` +~~~~~~~~~~~~~~~~~~~ + + :description: + ZAID naming convention for nuclide codes. 'serpent': The third digit in ZA for nuclides in isomeric states is 3 (e.g. 47310 for for Ag-110m). 'mcnp': ZA = Z*1000 + A + (300 + 100*m). where m is the mth isomeric state (e.g. 47510 for Ag-110m). 'nndc': Identical to 'mcnp', except Am242m1 is 95242 and Am242 is 95642 + + + :type: + ``string`` + + :enum: + "serpent", "mcnp", "nndc" + + :default: + "mcnp" + .. _openmc_specific_properties: diff --git a/master/_sources/releasenotes/v0.5.0.rst.txt b/master/_sources/releasenotes/v0.5.0.rst.txt index 83c124101..82a9442e4 100644 --- a/master/_sources/releasenotes/v0.5.0.rst.txt +++ b/master/_sources/releasenotes/v0.5.0.rst.txt @@ -64,6 +64,8 @@ Bug Fixes .. Describe any bug fixes. +- `Fix bug where Serpent2 material temperatures are hardcoded to 900K in the JEFF 3.1.2 library format. ` +- `Fix bug where using MCNP-style ZAID codes results in an error in various SerpentDepcode functions ` @@ -101,6 +103,7 @@ Python API Changes - Chaged the ``-d`` command line argument to ``-s``/``--threads``. - (new) → ``mpi_args`` - Added default values for certain input parameters + - Adds a ``zaid_convention`` input parameter - Added depletion settings for OpenMC - ``num_depsteps`` → ``n_depletion_steps`` - ``depcode['template_inputfile_path']`` → ``depcode['template_input_file_path']`` @@ -170,6 +173,7 @@ Python API Changes - (new function) → ``get_neutron_settings()`` - (new function) → ``_get_burnable_materials_file()`` - (new function) → ``_get_burnable_material_card_data()`` + - (new parameter) → ``zaid_convention`` - ``OpenMCDepcode`` is a ``Depcode`` subclass that interfaces with ``openmc``. This class implements the following functions diff --git a/master/fileformatspec/depcode_input.html b/master/fileformatspec/depcode_input.html index 4aaedca6f..efd576c5a 100644 --- a/master/fileformatspec/depcode_input.html +++ b/master/fileformatspec/depcode_input.html @@ -197,6 +197,25 @@

Generic properties +

zaid_convention

+
+
+
description
+

ZAID naming convention for nuclide codes. ‘serpent’: The third digit in ZA for nuclides in isomeric states is 3 (e.g. 47310 for for Ag-110m). ‘mcnp’: ZA = Z*1000 + A + (300 + 100*m). where m is the mth isomeric state (e.g. 47510 for Ag-110m). ‘nndc’: Identical to ‘mcnp’, except Am242m1 is 95242 and Am242 is 95642

+
+
type
+

string

+
+
enum
+

“serpent”, “mcnp”, “nndc”

+
+
default
+

“mcnp”

+
+
+
+

OpenMC-specific properties

diff --git a/master/releasenotes/v0.5.0.html b/master/releasenotes/v0.5.0.html index 258bc16c6..cc21a46e8 100644 --- a/master/releasenotes/v0.5.0.html +++ b/master/releasenotes/v0.5.0.html @@ -124,6 +124,10 @@

New Features

Bug Fixes

+
    +
  • Fix bug where Serpent2 material temperatures are hardcoded to 900K in the JEFF 3.1.2 library format. <https://github.com/arfc/saltproc/pull/178>

  • +
  • Fix bug where using MCNP-style ZAID codes results in an error in various SerpentDepcode functions <https://github.com/arfc/saltproc/issues/187>

  • +

Script Changes

@@ -151,6 +155,7 @@

Python API Changes-d command line argument to -s/--threads.

  • (new) → mpi_args

  • Added default values for certain input parameters

  • +
  • Adds a zaid_convention input parameter

  • Added depletion settings for OpenMC

  • num_depstepsn_depletion_steps

  • depcode['template_inputfile_path']depcode['template_input_file_path']

  • @@ -227,6 +232,7 @@

    Python API Changesget_neutron_settings()

  • (new function) → _get_burnable_materials_file()

  • (new function) → _get_burnable_material_card_data()

  • +
  • (new parameter) → zaid_convention

  • OpenMCDepcode is a Depcode subclass that interfaces with openmc. 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"setup-serpent-monte-carlo-code-environment"]], "Run the tests": [[0, "run-the-tests"]], "Run style tests with flake8": [[0, "run-style-tests-with-flake8"]], "Pull Requests": [[0, "pull-requests"]], "More developer docs": [[0, "more-developer-docs"]], "Meta": [[0, "meta"]], "Developer\u2019s Guide": [[1, "developer-s-guide"]], "Examples": [[2, "examples"]], "HDF5 Output File": [[3, "hdf5-output-file"]], "depcode Properties": [[4, "depcode-properties"]], "Generic properties": [[4, "generic-properties"]], "codename": [[4, "codename"]], "exec_path": [[4, "exec-path"], [4, "serpent-exec-path-property"], [4, "openmc-exec-path-property"]], "template_input_file_path": [[4, "template-input-file-path"], [4, "serpent-template-input-file-path-property"], [4, "openmc-template-input-file-path-property"]], "geo_file_paths": [[4, "geo-file-paths"], [4, "openmc-geo-file-paths-property"]], "Serpent-specific properties": [[4, "serpent-specific-properties"]], "zaid_convention": [[4, "zaid-convention"]], "OpenMC-specific properties": [[4, "openmc-specific-properties"]], "chain_file_path": [[4, "chain-file-path"]], "depletion_settings": [[4, "depletion-settings"]], "operator_kwargs Properties": [[4, "operator-kwargs-properties"]], "diff_burnable_mats": [[4, "diff-burnable-mats"]], "normalization_mode": [[4, "normalization-mode"]], "fission_q": [[4, "fission-q"]], "dilute_initial": [[4, "dilute-initial"]], "fission_yield_mode": [[4, "fission-yield-mode"]], "fission_yield_opts": [[4, "fission-yield-opts"]], "reaction_rate_mode": [[4, "reaction-rate-mode"]], "reaction_rate_opts": [[4, "reaction-rate-opts"]], "reduce_chain": [[4, "reduce-chain"]], "reduce_chain_level": [[4, "reduce-chain-level"]], "fission_yield_opts Properties \u2013 constant fission yield mode": [[4, "fission-yield-opts-properties-constant-fission-yield-mode"]], "energy": [[4, "energy"]], "fission_yield_opts Properties \u2013 cutoff fission yield mode": [[4, "fission-yield-opts-properties-cutoff-fission-yield-mode"]], "cutoff": [[4, "cutoff"]], "thermal_energy": [[4, "thermal-energy"]], "fast_energy": [[4, "fast-energy"]], "reaction_rate_opts Properties \u2013 flux reaction rate mode": [[4, "reaction-rate-opts-properties-flux-reaction-rate-mode"]], "energies": [[4, "energies"]], "reactions": [[4, "reactions"]], "nuclides": [[4, "nuclides"]], "File Format Specifications": [[5, "file-format-specifications"]], "Input Files": [[5, "input-files"]], "Output Files": [[5, "output-files"]], "reactor Properties": [[6, "reactor-properties"]], "volume": [[6, "volume"]], "mass_flowrate": [[6, "mass-flowrate"]], "power_levels": [[6, "power-levels"]], "depletion_timesteps": [[6, "depletion-timesteps"]], "timestep_type": [[6, "timestep-type"]], "timestep_units": [[6, "timestep-units"]], "SaltProc Input File": [[7, "saltproc-input-file"]], "proc_input_file": [[7, "proc-input-file"]], "dot_input_file": [[7, "dot-input-file"]], "output_path": [[7, "output-path"]], "n_depletion_steps": [[7, "n-depletion-steps"]], 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vx.x.x": [[13, "release-notes-for-vx-x-x"]], "Summary": [[13, "summary"], [15, "summary"], [16, "summary"]], "Dependency Changes": [[13, "dependency-changes"], [15, "dependency-changes"], [16, "dependency-changes"]], "New Features": [[13, "new-features"], [14, "new-features"], [15, "new-features"], [16, "new-features"]], "Bug Fixes": [[13, "bug-fixes"], [14, "bug-fixes"], [15, "bug-fixes"], [16, "bug-fixes"]], "Script Changes": [[13, "script-changes"], [15, "script-changes"], [16, "script-changes"]], "Python API Changes": [[13, "python-api-changes"], [15, "python-api-changes"], [16, "python-api-changes"]], "Contributors": [[13, "contributors"], [14, "contributors"], [15, "contributors"], [16, "contributors"]], "Reviewers": [[13, "reviewers"], [15, "reviewers"], [16, "reviewers"]], "Release notes for v0.3.0": [[14, "release-notes-for-v0-3-0"]], "Commit list": [[14, "commit-list"]], "Release notes for v0.4.0": [[15, "release-notes-for-v0-4-0"]], "Release notes for v0.5.0": [[16, 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"check_mass_conservation() (saltproc.process.process method)": [[25, "saltproc.process.Process.check_mass_conservation"]], "process_material() (saltproc.process.process method)": [[25, "saltproc.process.Process.process_material"]], "saltproc.process": [[25, "module-saltproc.process"]], "reactor (class in saltproc.reactor)": [[26, "saltproc.reactor.Reactor"]], "__init__() (saltproc.reactor.reactor method)": [[26, "saltproc.reactor.Reactor.__init__"]], "saltproc.reactor": [[26, "module-saltproc.reactor"]], "separator (class in saltproc.separator)": [[27, "saltproc.separator.Separator"]], "__init__() (saltproc.separator.separator method)": [[27, "saltproc.separator.Separator.__init__"]], "calc_rem_efficiency() (saltproc.separator.separator method)": [[27, "saltproc.separator.Separator.calc_rem_efficiency"]], "calculate_removal_efficiency() (saltproc.separator.separator method)": [[27, "saltproc.separator.Separator.calculate_removal_efficiency"]], "db (saltproc.separator.separator 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"saltproc.serpent_depcode.SerpentDepcode.set_power_load"]], "step_metadata (saltproc.serpent_depcode.serpentdepcode attribute)": [[28, "saltproc.serpent_depcode.SerpentDepcode.step_metadata"]], "switch_to_next_geometry() (saltproc.serpent_depcode.serpentdepcode method)": [[28, "saltproc.serpent_depcode.SerpentDepcode.switch_to_next_geometry"]], "update_depletable_materials() (saltproc.serpent_depcode.serpentdepcode method)": [[28, "saltproc.serpent_depcode.SerpentDepcode.update_depletable_materials"]], "write_runtime_input() (saltproc.serpent_depcode.serpentdepcode method)": [[28, "saltproc.serpent_depcode.SerpentDepcode.write_runtime_input"]], "simulation (class in saltproc.simulation)": [[29, "saltproc.simulation.Simulation"]], "__init__() (saltproc.simulation.simulation method)": [[29, "saltproc.simulation.Simulation.__init__"]], "check_restart() (saltproc.simulation.simulation method)": [[29, "saltproc.simulation.Simulation.check_restart"]], "check_switch_geo_trigger() (saltproc.simulation.simulation method)": [[29, "saltproc.simulation.Simulation.check_switch_geo_trigger"]], "read_k_eds_delta() (saltproc.simulation.simulation method)": [[29, "saltproc.simulation.Simulation.read_k_eds_delta"]], "saltproc.simulation": [[29, "module-saltproc.simulation"]], "store_after_repr() (saltproc.simulation.simulation method)": [[29, "saltproc.simulation.Simulation.store_after_repr"]], "store_mat_data() (saltproc.simulation.simulation method)": [[29, "saltproc.simulation.Simulation.store_mat_data"]], "store_run_init_info() (saltproc.simulation.simulation method)": [[29, "saltproc.simulation.Simulation.store_run_init_info"]], "store_run_step_info() (saltproc.simulation.simulation method)": [[29, "saltproc.simulation.Simulation.store_run_step_info"]], "sparger (class in saltproc.sparger)": [[30, "saltproc.sparger.Sparger"]], "__init__() (saltproc.sparger.sparger method)": [[30, "saltproc.sparger.Sparger.__init__"]], "area (saltproc.sparger.sparger attribute)": [[30, "saltproc.sparger.Sparger.area"]], "calc_rem_efficiency() (saltproc.sparger.sparger method)": [[30, "saltproc.sparger.Sparger.calc_rem_efficiency"]], "calculate_removal_efficiency() (saltproc.sparger.sparger method)": [[30, "saltproc.sparger.Sparger.calculate_removal_efficiency"]], "db (saltproc.sparger.sparger attribute)": [[30, "saltproc.sparger.Sparger.db"]], "description() (saltproc.sparger.sparger method)": [[30, "id0"], [30, "saltproc.sparger.Sparger.description"]], "diffusivity (saltproc.sparger.sparger attribute)": [[30, "id1"], [30, "saltproc.sparger.Sparger.diffusivity"]], "dp (saltproc.sparger.sparger attribute)": [[30, "saltproc.sparger.Sparger.dp"]], "eff() (saltproc.sparger.sparger method)": [[30, "id2"], [30, "saltproc.sparger.Sparger.eff"]], "eps() (saltproc.sparger.sparger method)": [[30, "id3"], [30, "saltproc.sparger.Sparger.eps"]], "exp_const (saltproc.sparger.sparger attribute)": [[30, "id4"], [30, "saltproc.sparger.Sparger.exp_const"]], "gas_const (saltproc.sparger.sparger attribute)": [[30, "id5"], [30, "saltproc.sparger.Sparger.gas_const"]], "h_const (saltproc.sparger.sparger attribute)": [[30, "id6"], [30, "saltproc.sparger.Sparger.h_const"]], "length (saltproc.sparger.sparger attribute)": [[30, "saltproc.sparger.Sparger.length"]], "q_he (saltproc.sparger.sparger attribute)": [[30, "saltproc.sparger.Sparger.q_he"]], "q_salt (saltproc.sparger.sparger attribute)": [[30, "saltproc.sparger.Sparger.q_salt"]], "saltproc.sparger": [[30, "module-saltproc.sparger"]], "sherwood() (saltproc.sparger.sparger method)": [[30, "id7"], [30, "saltproc.sparger.Sparger.sherwood"]], "temp_room (saltproc.sparger.sparger attribute)": [[30, "id8"], [30, "saltproc.sparger.Sparger.temp_room"]], "temp_salt (saltproc.sparger.sparger attribute)": [[30, "saltproc.sparger.Sparger.temp_salt"]], "saltproc.version": [[31, "module-saltproc.version"]]}}) \ No newline at end of file diff --git a/master/src/saltproc.serpent_depcode.html b/master/src/saltproc.serpent_depcode.html index 2fa0ac165..bbc6f3a62 100644 --- a/master/src/saltproc.serpent_depcode.html +++ b/master/src/saltproc.serpent_depcode.html @@ -79,7 +79,7 @@

    saltproc.serpent_depcode module

    -class saltproc.serpent_depcode.SerpentDepcode(output_path, exec_path, template_input_file_path, geo_file_paths)[source]
    +class saltproc.serpent_depcode.SerpentDepcode(output_path, exec_path, template_input_file_path, geo_file_paths, zaid_convention)[source]

    Bases: Depcode

    Interface for running depletion steps in Serpent, as well as obtaining depletion step results.

    @@ -166,7 +166,7 @@
    -__init__(output_path, exec_path, template_input_file_path, geo_file_paths)[source]
    +__init__(output_path, exec_path, template_input_file_path, geo_file_paths, zaid_convention)[source]

    Initialize a SerpentDepcode object.

    Parameters
    @@ -174,9 +174,17 @@
  • output_path (str) – Path to results storage directory.

  • exec_path (str) – Path to Serpent2 executable.

  • template_input_file_path (str) – Path to user input file for Serpent2

  • -
  • geo_file_paths (str or list, optional) – Path to file that contains the reactor geometry. +

  • geo_file_paths (str or list) – Path to file that contains the reactor geometry. List of str if reactivity control by switching geometry is On or just str otherwise.

  • +
  • zaid_convention (str) –

    ZAID naming convention for nuclide codes.

    +

    ’serpent’ - The third digit in ZA for nuclides in isomeric states +is 3 (e.g. 47310 for for Ag-110m).

    +

    ’mcnp’ - ZA = Z*1000 + A + (300 + 100*m). where m is the mth +isomeric state (e.g. 47510 for Ag-110m)

    +

    ’nndc’ - Identical to ‘mcnp’, except Am242m1 is 95242 and Am242 +is 95642

    +

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