def symmetryFactor(self): """ :return: the symmetry factor used in the normalization of structure factors or intensities. It is equal to the number of space group symmetry operations that map a reflection to itself. :rtype: int """ sg = self.crystal.space_group equivalents = sg.symmetryEquivalentMillerIndices(self.array)[0] return N.int_sum(N.alltrue(N.array(equivalents) == self.array, axis=1))
def isCentric(self, _equivalents=None): """ :return: True if the reflection is centric (i.e. equivalent to the reflection (-h, -k, -l) by space group symmetry operations) :rtype: bool """ sg = self.crystal.space_group if _equivalents is None: _equivalents = sg.symmetryEquivalentMillerIndices(self.array)[0] return N.int_sum(N.alltrue(N.array(_equivalents) == -self.array, axis=1)) > 0