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Refactor ThermalScattering.add_temperature_from_ace() to use from_ace()
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Paul Romano
parent
3a021a2438
commit
b6a866f7b7
1 changed files with 29 additions and 133 deletions
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@ -191,8 +191,6 @@ class ThermalScattering(EqualityMixin):
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self.name = name
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self.atomic_weight_ratio = atomic_weight_ratio
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self.kTs = kTs
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self.temperatures = [str(int(round(kT / K_BOLTZMANN))) + "K"
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for kT in kTs]
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self.elastic_xs = {}
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self.elastic_mu_out = {}
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self.inelastic_xs = {}
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@ -208,6 +206,10 @@ class ThermalScattering(EqualityMixin):
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else:
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return "<Thermal Scattering Data>"
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@property
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def temperatures(self):
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return ["{}K".format(int(round(kT / K_BOLTZMANN))) for kT in self.kTs]
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def export_to_hdf5(self, path, mode='a'):
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"""Export table to an HDF5 file.
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@ -277,142 +279,36 @@ class ThermalScattering(EqualityMixin):
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Thermal scattering data
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"""
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if isinstance(ace_or_filename, Table):
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ace = ace_or_filename
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else:
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ace = get_table(ace_or_filename)
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data = ThermalScattering.from_ace(ace_or_filename, name)
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# Get new name that is GND-consistent
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ace_name, xs = ace.name.split('.')
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if name is None:
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if ace_name.lower() in _THERMAL_NAMES:
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name = _THERMAL_NAMES[ace_name.lower()]
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else:
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# Make an educated guess? This actually works well for JEFF-3.2
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# which stupidly uses names like lw00.32t, lw01.32t, etc. for
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# different temperatures
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matches = get_close_matches(
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ace_name.lower(), _THERMAL_NAMES.keys(), cutoff=0.5)
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if len(matches) > 0:
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name = _THERMAL_NAMES[matches[0]]
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else:
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# OK, we give up. Just use the ACE name.
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name = 'c_' + ace.name
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warn('Thermal scattering material "{}" is not recognized. '
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'Assigning a name of {}.'.format(ace.name, name))
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# Check if temprature already exists
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strT = data.temperatures[0]
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if strT in self.temperatures:
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warn('S(a,b) data at T={} already exists.'.format(strT))
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return
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# If this ACE data matches the data within self then get the data
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if ace.temperature not in self.kTs:
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if name == self.name:
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# Add temperature and kTs
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strT = str(int(round(ace.temperature / K_BOLTZMANN))) + "K"
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self.temperatures.append(strT)
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self.kTs.append(ace.temperature)
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# Check that name matches
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if data.name != self.name:
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raise ValueError('Data provided for an incorrect material.')
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# Incoherent inelastic scattering cross section
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idx = ace.jxs[1]
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n_energy = int(ace.xss[idx])
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energy = ace.xss[idx + 1: idx + 1 + n_energy]
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xs = ace.xss[idx + 1 + n_energy: idx + 1 + 2 * n_energy]
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self.inelastic_xs[strT] = Tabulated1D(energy, xs)
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# Add temperature
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self.kTs += data.kTs
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# Make sure secondary_mode is always equal. This should always
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# be the case, but to reduce future debugging should something
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# change, this will alert the developers to the issue.
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if ace.nxs[7] == 0:
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secondary_mode = 'equal'
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elif ace.nxs[7] == 1:
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secondary_mode = 'skewed'
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elif ace.nxs[7] == 2:
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secondary_mode = 'continuous'
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# Add inelastic cross section and distributions
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if strT in data.inelastic_xs:
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self.inelastic_xs[strT] = data.inelastic_xs[strT]
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if strT in data.inelastic_e_out:
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self.inelastic_e_out[strT] = data.inelastic_e_out[strT]
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if strT in data.inelastic_mu_out:
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self.inelastic_mu_out[strT] = data.inelastic_mu_out[strT]
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if strT in data.inelastic_dist:
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self.inelastic_dist[strT] = data.inelastic_dist[strT]
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if secondary_mode != self.secondary_mode:
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raise ValueError('Secondary Modes are inconsistent.')
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n_energy_out = ace.nxs[4]
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if self.secondary_mode in ('equal', 'skewed'):
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n_mu = ace.nxs[3]
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idx = ace.jxs[3]
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self.inelastic_e_out[strT] = \
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ace.xss[idx:idx + n_energy * n_energy_out * (n_mu + 2):
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n_mu + 2]
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self.inelastic_e_out[strT].shape = \
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(n_energy, n_energy_out)
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self.inelastic_mu_out[strT] = \
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ace.xss[idx:idx + n_energy * n_energy_out * (n_mu + 2)]
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self.inelastic_mu_out[strT].shape = \
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(n_energy, n_energy_out, n_mu + 2)
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self.inelastic_mu_out[strT] = \
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self.inelastic_mu_out[strT][:, :, 1:]
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else:
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n_mu = ace.nxs[3] - 1
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idx = ace.jxs[3]
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locc = ace.xss[idx:idx + n_energy].astype(int)
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n_energy_out = \
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ace.xss[idx + n_energy:idx + 2 * n_energy].astype(int)
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energy_out = []
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mu_out = []
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for i in range(n_energy):
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idx = locc[i]
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# Outgoing energy distribution for incoming energy i
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e = ace.xss[idx + 1:idx + 1 + n_energy_out[i]*(n_mu + 3):
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n_mu + 3]
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p = ace.xss[idx + 2:idx + 2 + n_energy_out[i]*(n_mu + 3):
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n_mu + 3]
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c = ace.xss[idx + 3:idx + 3 + n_energy_out[i]*(n_mu + 3):
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n_mu + 3]
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eout_i = Tabular(e, p, 'linear-linear', ignore_negative=True)
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eout_i.c = c
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# Outgoing angle distribution for each
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# (incoming, outgoing) energy pair
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mu_i = []
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for j in range(n_energy_out[i]):
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mu = ace.xss[idx + 4:idx + 4 + n_mu]
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p_mu = 1. / n_mu * np.ones(n_mu)
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mu_ij = Discrete(mu, p_mu)
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mu_ij.c = np.cumsum(p_mu)
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mu_i.append(mu_ij)
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idx += 3 + n_mu
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energy_out.append(eout_i)
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mu_out.append(mu_i)
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# Create correlated angle-energy distribution
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breakpoints = [n_energy]
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interpolation = [2]
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energy = self.inelastic_xs[strT].x
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self.inelastic_dist[strT] = CorrelatedAngleEnergy(
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breakpoints, interpolation, energy, energy_out, mu_out)
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# Incoherent/coherent elastic scattering cross section
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idx = ace.jxs[4]
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if idx != 0:
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n_energy = int(ace.xss[idx])
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energy = ace.xss[idx + 1: idx + 1 + n_energy]
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P = ace.xss[idx + 1 + n_energy: idx + 1 + 2 * n_energy]
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if ace.nxs[5] == 4:
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self.elastic_xs[strT] = CoherentElastic(energy, P)
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else:
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self.elastic_xs[strT] = Tabulated1D(energy, P)
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# Angular distribution
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n_mu = ace.nxs[6]
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if n_mu != -1:
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idx = ace.jxs[6]
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self.elastic_mu_out[strT] = \
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ace.xss[idx:idx + n_energy * n_mu]
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self.elastic_mu_out[strT].shape = \
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(n_energy, n_mu)
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else:
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raise ValueError('Data provided for an incorrect library')
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else:
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warn('{} already has data for T={:.1f} K'.format(
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self.name, ace.temperature / K_BOLTZMANN))
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# Add elastic cross sectoin and angular distribution
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if strT in data.elastic_xs:
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self.elastic_xs[strT] = data.elastic_xs[strT]
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if strT in data.elastic_mu_out:
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self.elastic_mu_out[strT] = data.elastic_mu_out[strT]
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@classmethod
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def from_hdf5(cls, group_or_filename):
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