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using pd.DataFrame to replace the strings

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liangjg 2019-03-20 09:44:40 -04:00
parent 4d80367ae4
commit bb30f78b0d
1 changed files with 14 additions and 11 deletions
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25
openmc/data/photon.py
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@ -595,6 +595,9 @@ class IncidentPhoton(EqualityMixin):
mode : {'r', r+', 'w', 'x', 'a'}
Mode that is used to open the HDF5 file. This is the second argument
to the :class:`h5py.File` constructor.
libver : {'earliest', 'latest'}
Compatibility mode for the HDF5 file. 'latest' will produce files
that are less backwards compatible but have performance benefits.
"""
# Open file and write version
@ -755,8 +758,8 @@ class IncidentPhoton(EqualityMixin):
data = cls(Z)
# Read energy grid
data.energy = energy= group['energy'].value
n = data.energy.size
energy= group['energy'].value
n = energy.size
# Read coherent scattering cross section
rgroup = group['coherent']
@ -811,6 +814,8 @@ class IncidentPhoton(EqualityMixin):
binding_energy = {}
num_electrons = {}
transitions = {}
shell_values = _SUBSHELLS.copy()
shell_values.insert(0, None)
columns = ['secondary', 'tertiary', 'energy (eV)', 'probability']
for shell in designators:
mt = _SUBSHELL_MT[shell]
@ -827,18 +832,16 @@ class IncidentPhoton(EqualityMixin):
# Read transition data
if 'transitions' in sub_group:
t_value = sub_group['transitions'].value
records = []
secondaries = [_subshell(int(i)) for i in t_value[:, 0]]
for i, s in enumerate(secondaries):
records.append((s, t_value[i, 1], t_value[i, 2],
t_value[i, 3]))
transitions[shell] = pd.DataFrame.from_records(records,
columns=columns)
df = pd.DataFrame(sub_group['transitions'].value,
columns=columns)
# Replace float indexes back to subshell strings
df[columns[:2]] = df[columns[:2]].replace(
np.arange(float(len(shell_values))), shell_values)
transitions[shell] = df
if binding_energy:
data.atomic_relaxation = AtomicRelaxation(binding_energy,
num_electrons, transitions)
num_electrons, transitions)
# Read Compton profiles
if 'compton_profiles' in group: