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Infer WMP vales like num_l and fissionable
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Sterling Harper
parent
6cb13395dc
commit
7bb066bc9a
1 changed files with 57 additions and 66 deletions
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@ -24,7 +24,7 @@ _RM_RF = 3 # Residue fission
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# Multi-level Breit Wigner indices
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_MLBW_RT = 1 # Residue total
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_MLBW_RX = 2 # Residue compettitive
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_MLBW_RX = 2 # Residue competitive
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_MLBW_RA = 3 # Residue absorption
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_MLBW_RF = 4 # Residue fission
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@ -141,6 +141,12 @@ def _broaden_wmp_polynomials(E, dopp, n):
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class WindowedMultipole(EqualityMixin):
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"""Resonant cross sections represented in the windowed multipole format.
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Parameters
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----------
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formalism : {'MLBW', 'RM'}
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The R-matrix formalism used to reconstruct resonances. Either 'MLBW'
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for multi-level Breit Wigner or 'RM' for Reich-Moore.
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Attributes
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----------
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num_l : Integral
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@ -195,11 +201,9 @@ class WindowedMultipole(EqualityMixin):
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a/E + b/sqrt(E) + c + d sqrt(E) + ...
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"""
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def __init__(self):
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self.num_l = None
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self.fit_order = None
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self.fissionable = None
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self.formalism = None
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def __init__(self, formalism):
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self._num_l = None
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self.formalism = formalism
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self.spacing = None
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self.sqrtAWR = None
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self.start_E = None
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@ -218,11 +222,15 @@ class WindowedMultipole(EqualityMixin):
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@property
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def fit_order(self):
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return self._fit_order
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return self.curvefit.shape[1] - 1
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@property
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def fissionable(self):
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return self._fissionable
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if self.formalism == 'RM':
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return self.data.shape[1] == 4
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else:
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# Assume self.formalism == 'MLBW'
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return self.data.shape[1] == 5
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@property
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def formalism(self):
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@ -272,35 +280,10 @@ class WindowedMultipole(EqualityMixin):
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def curvefit(self):
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return self._curvefit
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@num_l.setter
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def num_l(self, num_l):
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if num_l is not None:
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cv.check_type('num_l', num_l, Integral)
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cv.check_greater_than('num_l', num_l, 1, equality=True)
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cv.check_less_than('num_l', num_l, 4, equality=True)
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# There is an if block in _evaluate that assumes num_l <= 4.
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self._num_l = num_l
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@fit_order.setter
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def fit_order(self, fit_order):
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if fit_order is not None:
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cv.check_type('fit_order', fit_order, Integral)
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cv.check_greater_than('fit_order', fit_order, 2, equality=True)
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# _broaden_wmp_polynomials assumes the curve fit has at least 3
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# terms.
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self._fit_order = fit_order
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@fissionable.setter
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def fissionable(self, fissionable):
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if fissionable is not None:
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cv.check_type('fissionable', fissionable, bool)
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self._fissionable = fissionable
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@formalism.setter
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def formalism(self, formalism):
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if formalism is not None:
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cv.check_type('formalism', formalism, str)
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cv.check_value('formalism', formalism, ('MLBW', 'RM'))
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cv.check_type('formalism', formalism, str)
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cv.check_value('formalism', formalism, ('MLBW', 'RM'))
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self._formalism = formalism
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@spacing.setter
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@ -337,9 +320,20 @@ class WindowedMultipole(EqualityMixin):
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cv.check_type('data', data, np.ndarray)
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if len(data.shape) != 2:
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raise ValueError('Multipole data arrays must be 2D')
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if data.shape[1] not in (3, 4, 5): # 3 or 4 for RM, 4 or 5 for MLBW
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raise ValueError('The second dimension of multipole data arrays'
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' must have a length of 3, 4 or 5')
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if self.formalism == 'RM':
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if data.shape[1] not in (3, 4):
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raise ValueError('For the Reich-Moore formalism, '
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'data.shape[1] must be 3 or 4. One value for the pole.'
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' One each for the total and absorption residues. '
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'Possibly one more for a fission residue.')
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else:
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# Assume self.formalism == 'MLBW'
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if data.shape[1] not in (4, 5):
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raise ValueError('For the Multi-level Breit-Wigner '
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'formalism, data.shape[1] must be 4 or 5. One value '
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'for the pole. One each for the total, competitive, '
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'and absorption residues. Possibly one mor efor a '
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'fission residue.')
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if not np.issubdtype(data.dtype, complex):
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raise TypeError('Multipole data arrays must be complex dtype')
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self._data = data
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@ -363,6 +357,12 @@ class WindowedMultipole(EqualityMixin):
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if not np.issubdtype(l_value.dtype, int):
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raise TypeError('Multipole l_value arrays must be integer'
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' dtype')
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self._num_l = len(np.unique(l_value))
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else:
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self._num_l = None
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self._l_value = l_value
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@w_start.setter
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@ -442,20 +442,12 @@ class WindowedMultipole(EqualityMixin):
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'Python API expects version ' + WMP_VERSION)
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group = h5file['nuclide']
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out = cls()
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# Read scalar values. Note that group['max_w'] is ignored.
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length = group['length'].value
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windows = group['windows'].value
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out.num_l = group['num_l'].value
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out.fit_order = group['fit_order'].value
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out.fissionable = bool(group['fissionable'].value)
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if group['formalism'].value == _FORM_MLBW:
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out.formalism = 'MLBW'
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out = cls('MLBW')
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elif group['formalism'].value == _FORM_RM:
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out.formalism = 'RM'
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out = cls('RM')
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else:
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raise ValueError('Unrecognized/Unsupported R-matrix formalism')
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@ -466,37 +458,36 @@ class WindowedMultipole(EqualityMixin):
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# Read arrays.
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err = "WMP '{}' array shape is not consistent with the '{}' value"
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err = "WMP '{}' array shape is not consistent with the '{}' array shape"
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out.data = group['data'].value
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if out.data.shape[0] != length:
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raise ValueError(err.format('data', 'length'))
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out.l_value = group['l_value'].value
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if out.l_value.shape[0] != out.data.shape[0]:
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raise ValueError(err.format('l_value', 'data'))
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out.pseudo_k0RS = group['pseudo_K0RS'].value
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if out.pseudo_k0RS.shape[0] != out.num_l:
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raise ValueError(err.format('pseudo_k0RS', 'num_l'))
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out.l_value = group['l_value'].value
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if out.l_value.shape[0] != length:
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raise ValueError(err.format('l_value', 'length'))
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raise ValueError(err.format('pseudo_k0RS', 'l_value'))
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out.w_start = group['w_start'].value
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if out.w_start.shape[0] != windows:
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raise ValueError(err.format('w_start', 'windows'))
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out.w_end = group['w_end'].value
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if out.w_end.shape[0] != windows:
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raise ValueError(err.format('w_end', 'windows'))
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if out.w_end.shape[0] != out.w_start.shape[0]:
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raise ValueError(err.format('w_end', 'w_start'))
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out.broaden_poly = group['broaden_poly'].value.astype(np.bool)
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if out.broaden_poly.shape[0] != windows:
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raise ValueError(err.format('broaden_poly', 'windows'))
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if out.broaden_poly.shape[0] != out.w_start.shape[0]:
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raise ValueError(err.format('broaden_poly', 'w_start'))
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out.curvefit = group['curvefit'].value
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if out.curvefit.shape[0] != windows:
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raise ValueError(err.format('curvefit', 'windows'))
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if out.curvefit.shape[1] != out.fit_order + 1:
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raise ValueError(err.format('curvefit', 'fit_order'))
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if out.curvefit.shape[0] != out.w_start.shape[0]:
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raise ValueError(err.format('curvefit', 'w_start'))
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# _broaden_wmp_polynomials assumes the curve fit has at least 3 terms.
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if out.fit_order < 2:
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raise ValueError("Windowed multipole is only supported for "
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"curvefits with 3 or more terms.")
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# Note that all the file 3 data (group['reactions/MT...']) are ignored.
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