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Add type checking to PyAPI multipole
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Sterling Harper
parent
8872ccdbc2
commit
85d26be07a
1 changed files with 277 additions and 23 deletions
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@ -1,11 +1,15 @@
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from six import string_types
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from numbers import Integral, Real
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import h5py
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import numpy as np
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from scipy.special import wofz
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from six import string_types
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from . import WMP_VERSION
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from .data import K_BOLTZMANN
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import openmc.checkvalue as cv
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from openmc.mixin import EqualityMixin
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@ -96,6 +100,217 @@ def broaden_wmp_polynomials(En, dopp, n):
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class WindowedMultipole(EqualityMixin):
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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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self.spacing = None
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self.sqrtAWR = None
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self.start_E = None
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self.end_E = None
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self.data = None
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self.pseudo_k0RS = None
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self.l_value = None
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self.w_start = None
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self.w_end = None
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self.broaden_poly = None
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self.curvefit = None
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@property
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def num_l(self):
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return self._num_l
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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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@property
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def fissionable(self):
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return self._fissionable
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@property
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def formalism(self):
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return self._formalism
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@property
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def spacing(self):
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return self._spacing
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@property
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def sqrtAWR(self):
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return self._sqrtAWR
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@property
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def start_E(self):
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return self._start_E
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@property
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def end_E(self):
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return self._end_E
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@property
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def data(self):
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return self._data
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@property
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def pseudo_k0RS(self):
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return self._pseudo_k0RS
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@property
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def l_value(self):
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return self._l_value
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@property
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def w_start(self):
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return self._w_start
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@property
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def w_end(self):
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return self._w_end
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@property
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def broaden_poly(self):
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return self._broaden_poly
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@property
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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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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, 1, equality=True)
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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, string_types)
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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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def spacing(self, spacing):
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if spacing is not None:
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cv.check_type('spacing', spacing, Real)
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cv.check_greater_than('spacing', spacing, 0.0, equality=False)
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self._spacing = spacing
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@sqrtAWR.setter
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def sqrtAWR(self, sqrtAWR):
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if sqrtAWR is not None:
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cv.check_type('sqrtAWR', sqrtAWR, Real)
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cv.check_greater_than('sqrtAWR', sqrtAWR, 0.0, equality=False)
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self._sqrtAWR = sqrtAWR
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@start_E.setter
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def start_E(self, start_E):
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if start_E is not None:
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cv.check_type('start_E', start_E, Real)
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cv.check_greater_than('start_E', start_E, 0.0, equality=True)
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self._start_E = start_E
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@end_E.setter
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def end_E(self, end_E):
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if end_E is not None:
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cv.check_type('end_E', end_E, Real)
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cv.check_greater_than('end_E', end_E, 0.0, equality=False)
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self._end_E = end_E
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@data.setter
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def data(self, data):
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if data is not None:
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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 (4, 5): # 4 for RM, 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 either 4 or 5')
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if not np.issubdtype(data.dtype, np.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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@pseudo_k0RS.setter
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def pseudo_k0RS(self, pseudo_k0RS):
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if pseudo_k0RS is not None:
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cv.check_type('pseudo_k0RS', pseudo_k0RS, np.ndarray)
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if len(pseudo_k0RS.shape) != 1:
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raise ValueError('Multipole pseudo_k0RS arrays must be 1D')
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if not np.issubdtype(pseudo_k0RS.dtype, np.float):
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raise TypeError('Multipole data arrays must be float dtype')
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self._pseudo_k0RS = pseudo_k0RS
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@l_value.setter
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def l_value(self, l_value):
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if l_value is not None:
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cv.check_type('l_value', l_value, np.ndarray)
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if len(l_value.shape) != 1:
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raise ValueError('Multipole l_value arrays must be 1D')
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if not np.issubdtype(l_value.dtype, np.integer):
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raise TypeError('Multipole l_value arrays must be integer'
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' dtype')
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self._l_value = l_value
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@w_start.setter
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def w_start(self, w_start):
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if w_start is not None:
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cv.check_type('w_start', w_start, np.ndarray)
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if len(w_start.shape) != 1:
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raise ValueError('Multipole w_start arrays must be 1D')
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if not np.issubdtype(w_start.dtype, np.integer):
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raise TypeError('Multipole w_start arrays must be integer'
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' dtype')
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self._w_start = w_start
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@w_end.setter
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def w_end(self, w_end):
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if w_end is not None:
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cv.check_type('w_end', w_end, np.ndarray)
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if len(w_end.shape) != 1:
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raise ValueError('Multipole w_end arrays must be 1D')
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if not np.issubdtype(w_end.dtype, np.integer):
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raise TypeError('Multipole w_end arrays must be integer dtype')
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self._w_end = w_end
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@broaden_poly.setter
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def broaden_poly(self, broaden_poly):
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if broaden_poly is not None:
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cv.check_type('broaden_poly', broaden_poly, np.ndarray)
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if len(broaden_poly.shape) != 1:
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raise ValueError('Multipole broaden_poly arrays must be 1D')
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if not np.issubdtype(broaden_poly.dtype, np.bool):
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raise TypeError('Multipole broaden_poly arrays must be boolean'
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' dtype')
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self._broaden_poly = broaden_poly
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@curvefit.setter
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def curvefit(self, curvefit):
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if curvefit is not None:
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cv.check_type('curvefit', curvefit, np.ndarray)
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if len(curvefit.shape) != 3:
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raise ValueError('Multipole curvefit arrays must be 3D')
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if curvefit.shape[2] != 3: # One each for sigT, sigA, sigF
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raise ValueError('The third dimension of multipole curvefit'
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' arrays must have a length of 3')
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if not np.issubdtype(curvefit.dtype, np.float):
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raise TypeError('Multipole curvefit arrays must be float dtype')
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self._curvefit = curvefit
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@classmethod
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def from_hdf5(cls, group_or_filename):
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if isinstance(group_or_filename, h5py.Group):
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@ -111,27 +326,59 @@ class WindowedMultipole(EqualityMixin):
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out = cls()
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# Scalars.
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out.length = group['length'].value
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out.windows = group['windows'].value
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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.max_w = group['max_w'].value
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out.fissionable = group['fissionable'].value
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out.formalism = group['formalism'].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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elif group['formalism'].value == FORM_RM:
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out.formalism = 'RM'
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else:
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raise ValueError('Unrecognized/Unsupported R-matrix formalism')
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out.spacing = group['spacing'].value
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out.sqrtAWR = group['sqrtAWR'].value
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out.start_E = group['start_E'].value
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out.end_E = group['end_E'].value
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# Arrays.
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# Read arrays.
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err = "WMP '{:}' array shape is not consistent with the '{:}' value"
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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.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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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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out.broaden_poly = group['broaden_poly'].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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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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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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return out
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@ -203,34 +450,41 @@ class WindowedMultipole(EqualityMixin):
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if sqrtkT == 0.0:
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# If at 0K, use asymptotic form.
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for i_pole in range(startw, endw):
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psi_chi = -1j / (self.data[i_pole, MP_EA] - sqrtE)
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c_temp = psi_chi / E
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if self.formalism == FORM_MLBW:
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sigT += ((self.data[i_pole, MLBW_RT] * c_temp *
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sigT_factor[self.l_value[i_pole]-1]).real
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+ (self.data[i_pole, MLBW_RX] * c_temp).real)
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sigA += (self.data[i_pole, MLBW_RA] * c_temp).real
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sigF += (self.data[i_pole, MLBW_RF] * c_temp).real
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elif self.formalism == FORM_RM:
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sigT += (self.data[i_pole, RM_RT] * c_temp *
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sigT_factor[self.l_value[i_pole]-1]).real
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sigA += (self.data[i_pole, RM_RA] * c_temp).real
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sigF += (self.data[i_pole, RM_RF] * c_temp).real
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psi_chi = -1j / (self.data[i_pole, MP_EA] - sqrtE)
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c_temp = psi_chi / E
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if self.formalism == 'MLBW':
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sigT += ((self.data[i_pole, MLBW_RT] * c_temp *
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sigT_factor[self.l_value[i_pole]-1]).real
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+ (self.data[i_pole, MLBW_RX] * c_temp).real)
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sigA += (self.data[i_pole, MLBW_RA] * c_temp).real
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sigF += (self.data[i_pole, MLBW_RF] * c_temp).real
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elif self.formalism == 'RM':
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sigT += (self.data[i_pole, RM_RT] * c_temp *
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sigT_factor[self.l_value[i_pole]-1]).real
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sigA += (self.data[i_pole, RM_RA] * c_temp).real
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sigF += (self.data[i_pole, RM_RF] * c_temp).real
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else:
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raise ValueError('Unrecognized/Unsupported R-matrix'
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' formalism')
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else:
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# At temperature, use Faddeeva function-based form.
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for i_pole in range(startw, endw):
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Z = (sqrtE - self.data[i_pole, MP_EA]) * dopp
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w_val = faddeeva(Z) * dopp * invE * np.sqrt(np.pi)
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if self.formalism == FORM_MLBW:
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if self.formalism == 'MLBW':
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sigT += ((self.data[i_pole, MLBW_RT] *
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sigT_factor[self.l_value[i_pole]-1] +
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self.data[i_pole, MLBW_RX]) * w_val).real
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sigA += (self.data[i_pole, MLBW_RA] * w_val).real
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sigF += (self.data[i_pole, MLBW_RF] * w_val).real
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elif self.formalism == FORM_RM:
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elif self.formalism == 'RM':
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sigT += (self.data[i_pole, RM_RT] * w_val *
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sigT_factor[self.l_value[i_pole]-1]).real
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sigA += (self.data[i_pole, RM_RA] * w_val).real
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sigF += (self.data[i_pole, RM_RF] * w_val).real
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else:
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raise ValueError('Unrecognized/Unsupported R-matrix'
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' formalism')
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return sigT, sigA, sigF
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