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https://github.com/openmc-dev/openmc.git
synced 2026-07-29 06:35:48 -04:00
More changes based on view comments in #1455
This commit is contained in:
Paul Romano
parent
6b5c3026f9
commit
672c718117
5 changed files with 55 additions and 65 deletions
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@ -24,6 +24,7 @@ with h5py.File('stopping_powers.h5', 'w') as f:
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# Write energies
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f.create_dataset('energy', data=energies)
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# Look over atomic number; ESTAR only goes up to Z=98 (Californium)
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for Z in range(1, 99):
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print('Processing {} data...'.format(ATOMIC_SYMBOL[Z]))
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@ -32,9 +33,11 @@ with h5py.File('stopping_powers.h5', 'w') as f:
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payload = urlencode(data).encode("utf-8")
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# Retrieve data from ESTAR site
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r = urlopen(url=base_url, data=payload).read()
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with urlopen(url=base_url, data=payload) as response:
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r = response.read()
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# Remove text and reformat data
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# Remove text and reformat data -- omit first 12 and last 5 lines to get
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# only data in table
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r = html.fromstring(r).xpath('//pre//text()')
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values = np.fromstring(' '.join(r[12:-5]), sep=' ').reshape((-1, 5)).T
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@ -84,7 +84,7 @@ with tempfile.TemporaryDirectory() as tmpdir:
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print('Converting {}...'.format(os.path.basename(f)))
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data = openmc.data.IncidentNeutron.from_ace(f)
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# Check for fission energy release data
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# Check for fission energy release data on MF=1, MT=458
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endf_filename = 'neutrons/n-{:03}_{}_{:03}{}.endf'.format(
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data.atomic_number,
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data.atomic_symbol,
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@ -21,10 +21,12 @@ import numpy as np
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from openmc import StatePoint, MeshFilter
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_COMBOBOX_SELECTED = '<<ComboboxSelected>>'
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class MeshPlotter(tk.Frame):
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def __init__(self, parent, filename):
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tk.Frame.__init__(self, parent)
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super().__init__(self, parent)
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self.labels = {
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'Cell': 'Cell:',
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@ -79,7 +81,7 @@ class MeshPlotter(tk.Frame):
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for i in self.meshTallies]
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self.tallyBox.current(0)
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self.tallyBox.grid(row=0, column=1, sticky=tk.W+tk.E)
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self.tallyBox.bind('<<ComboboxSelected>>', self.update)
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self.tallyBox.bind(_COMBOBOX_SELECTED, self.update)
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# Planar basis selection
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labelBasis = tk.Label(self.selectFrame, text='Basis:')
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@ -88,14 +90,14 @@ class MeshPlotter(tk.Frame):
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self.basisBox['values'] = ('xy', 'yz', 'xz')
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self.basisBox.current(0)
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self.basisBox.grid(row=1, column=1, sticky=tk.W+tk.E)
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self.basisBox.bind('<<ComboboxSelected>>', self.update)
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self.basisBox.bind(_COMBOBOX_SELECTED, self.update)
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# Axial level
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labelAxial = tk.Label(self.selectFrame, text='Axial level:')
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labelAxial.grid(row=2, column=0, sticky=tk.W)
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self.axialBox = ttk.Combobox(self.selectFrame, state='readonly')
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self.axialBox.grid(row=2, column=1, sticky=tk.W+tk.E)
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self.axialBox.bind('<<ComboboxSelected>>', self.redraw)
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self.axialBox.bind(_COMBOBOX_SELECTED, self.redraw)
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# Option for mean/uncertainty
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labelMean = tk.Label(self.selectFrame, text='Mean/Uncertainty:')
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@ -105,14 +107,14 @@ class MeshPlotter(tk.Frame):
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'Relative uncertainty')
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self.meanBox.current(0)
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self.meanBox.grid(row=3, column=1, sticky=tk.W+tk.E)
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self.meanBox.bind('<<ComboboxSelected>>', self.update)
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self.meanBox.bind(_COMBOBOX_SELECTED, self.update)
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# Scores
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labelScore = tk.Label(self.selectFrame, text='Score:')
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labelScore.grid(row=4, column=0, sticky=tk.W)
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self.scoreBox = ttk.Combobox(self.selectFrame, state='readonly')
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self.scoreBox.grid(row=4, column=1, sticky=tk.W+tk.E)
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self.scoreBox.bind('<<ComboboxSelected>>', self.redraw)
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self.scoreBox.bind(_COMBOBOX_SELECTED, self.redraw)
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# Filter label
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boldfont = font.Font(weight='bold')
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@ -121,10 +123,7 @@ class MeshPlotter(tk.Frame):
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labelFilters.grid(row=5, column=0, sticky=tk.W)
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def update(self, event=None):
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if not event:
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widget = None
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else:
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widget = event.widget
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widget = event.widget if event else None
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tally_id = self.meshTallies[self.tallyBox.current()]
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selectedTally = self.datafile.tallies[tally_id]
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@ -188,7 +187,7 @@ class MeshPlotter(tk.Frame):
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combobox.current(0)
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combobox.grid(row=count+6, column=1, sticky=tk.W+tk.E)
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combobox.bind('<<ComboboxSelected>>', self.redraw)
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combobox.bind(_COMBOBOX_SELECTED, self.redraw)
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# If There are no filters, leave a 'None available' message
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if count == 0:
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@ -13,15 +13,11 @@ import numpy as np
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import openmc.mgxs_library
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description = """\
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Update OpenMC's deprecated multi-group cross section XML files to the latest
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HDF5-based format."""
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def parse_args():
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"""Read the input files from the commandline."""
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# Create argument parser
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parser = argparse.ArgumentParser(description=description,
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parser = argparse.ArgumentParser(description=__doc__,
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formatter_class=argparse.RawTextHelpFormatter)
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parser.add_argument('-i', '--input', type=argparse.FileType('r'),
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help='input XML file')
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@ -52,7 +48,7 @@ def get_data(element, entry):
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return value
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if __name__ == '__main__':
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def main():
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args = parse_args()
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# Parse the XML data.
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@ -60,17 +56,16 @@ if __name__ == '__main__':
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root = tree.getroot()
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# Get old metadata
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temp = tree.find('group_structure').text.strip()
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temp = np.array(temp.split())
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group_structure = temp.astype(np.float)
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group_structure = tree.find('group_structure').text.strip()
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group_structure = np.array(group_structure.split(), dtype=float)
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# Convert from MeV to eV
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group_structure *= 1.e6
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energy_groups = openmc.mgxs.EnergyGroups(group_structure)
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temp = tree.find('inverse-velocity')
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if temp is not None:
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temp = temp.text.strip()
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temp = np.array(temp.split())
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inverse_velocity = temp.astype(np.float)
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inverse_velocity = tree.find('inverse-velocity')
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if inverse_velocity is not None:
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inverse_velocity = inverse_velocity.text.split()
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inverse_velocity = np.array(inverse_velocity, dtype=float)
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else:
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inverse_velocity = None
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@ -83,8 +78,7 @@ if __name__ == '__main__':
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temperature = get_data(xsdata_elem, 'kT')
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if temperature is not None:
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temperature = \
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float(temperature) / openmc.data.K_BOLTZMANN * 1.E6
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temperature = float(temperature) / openmc.data.K_BOLTZMANN * 1.E6
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else:
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temperature = 294.
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temperatures = [temperature]
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@ -108,8 +102,8 @@ if __name__ == '__main__':
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tab_leg = get_data(xsdata_elem, 'tabular_legendre')
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if tab_leg is not None:
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warnings.Warning('The tabular_legendre option has moved to the '
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'settings.xml file and must be added manually')
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warnings.warn('The tabular_legendre option has moved to the '
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'settings.xml file and must be added manually')
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# Either add the data to a previously existing xsdata (if it is
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# for the same 'name' but a different temperature), or create a
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@ -140,25 +134,22 @@ if __name__ == '__main__':
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if i != -1:
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xsd[i].add_temperature(temperature)
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temp = get_data(xsdata_elem, 'total')
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if temp is not None:
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temp = np.array(temp.split(), dtype=float)
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total = temp.astype(np.float)
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total = get_data(xsdata_elem, 'total')
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if total is not None:
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total = np.array(total.split(), dtype=float)
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total.shape = xsd[i].xs_shapes['[G]']
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xsd[i].set_total(total, temperature)
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if inverse_velocity is not None:
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xsd[i].set_inverse_velocity(inverse_velocity, temperature)
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temp = get_data(xsdata_elem, 'absorption')
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temp = np.array(temp.split())
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absorption = temp.astype(np.float)
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absorption = get_data(xsdata_elem, 'absorption')
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absorption = np.array(absorption.split(), dtype=float)
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absorption.shape = xsd[i].xs_shapes['[G]']
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xsd[i].set_absorption(absorption, temperature)
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temp = get_data(xsdata_elem, 'scatter')
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temp = np.array(temp.split())
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scatter = temp.astype(np.float)
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scatter = get_data(xsdata_elem, 'scatter')
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scatter = np.array(scatter.split(), dtype=float)
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# This is now a flattened-array of something that started with a
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# shape of [Order][G][G']; we need to unflatten and then switch the
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# ordering
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@ -176,40 +167,35 @@ if __name__ == '__main__':
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xsd[i].set_scatter_matrix(scatter, temperature)
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temp = get_data(xsdata_elem, 'multiplicity')
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if temp is not None:
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temp = np.array(temp.split())
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multiplicity = temp.astype(np.float)
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multiplicity = get_data(xsdata_elem, 'multiplicity')
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if multiplicity is not None:
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multiplicity = np.array(multiplicity.split(), dtype=float)
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multiplicity.shape = xsd[i].xs_shapes["[G][G']"]
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xsd[i].set_multiplicity_matrix(multiplicity, temperature)
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temp = get_data(xsdata_elem, 'fission')
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if temp is not None:
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temp = np.array(temp.split())
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fission = temp.astype(np.float)
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fission = get_data(xsdata_elem, 'fission')
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if fission is not None:
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fission = np.array(fission.split(), dtype=float)
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fission.shape = xsd[i].xs_shapes['[G]']
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xsd[i].set_fission(fission, temperature)
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temp = get_data(xsdata_elem, 'kappa_fission')
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if temp is not None:
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temp = np.array(temp.split())
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kappa_fission = temp.astype(np.float)
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kappa_fission = get_data(xsdata_elem, 'kappa_fission')
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if kappa_fission is not None:
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kappa_fission = np.array(kappa_fission.split(), dtype=float)
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kappa_fission.shape = xsd[i].xs_shapes['[G]']
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xsd[i].set_kappa_fission(kappa_fission, temperature)
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temp = get_data(xsdata_elem, 'chi')
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if temp is not None:
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temp = np.array(temp.split())
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chi = temp.astype(np.float)
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chi = get_data(xsdata_elem, 'chi')
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if chi is not None:
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chi = np.array(chi.split(), dtype=float)
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chi.shape = xsd[i].xs_shapes['[G]']
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xsd[i].set_chi(chi, temperature)
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else:
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chi = None
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temp = get_data(xsdata_elem, 'nu_fission')
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if temp is not None:
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temp = np.array(temp.split())
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nu_fission = temp.astype(np.float)
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nu_fission = get_data(xsdata_elem, 'nu_fission')
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if nu_fission is not None:
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nu_fission = np.array(nu_fission.split(), dtype=float)
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if chi is not None:
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nu_fission.shape = xsd[i].xs_shapes['[G]']
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else:
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@ -218,7 +204,9 @@ if __name__ == '__main__':
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# Build library as we go, but first we have enough to initialize it
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lib = openmc.MGXSLibrary(energy_groups)
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lib.add_xsdatas(xsd)
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lib.export_to_hdf5(args['output'])
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if __name__ == '__main__':
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main()
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@ -8,7 +8,7 @@ import numpy as np
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import h5py
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import vtk
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_min_version = (2,0)
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_min_version = (2, 0)
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def main():
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