def _index_prepare(self):
# prepare to do some autoindexing
super(LabelitIndexerII, self)._index_prepare()
assert self._indxr_input_cell is not None, "Unit cell required for LabelitIndexerII"
# calculate the correct primitive unit cell
if self._indxr_input_cell and self._indxr_input_lattice:
ls = LatticeSymmetry()
ls.set_lattice(self._indxr_input_lattice)
ls.set_cell(self._indxr_input_cell)
ls.generate()
self._primitive_unit_cell = ls.get_cell('aP')
Debug.write('Given lattice %s and unit cell:' % \
self._indxr_input_lattice)
Debug.write('%7.2f %7.2f %7.2f %6.2f %6.2f %6.2f' % \
tuple(self._indxr_input_cell))
Debug.write('Derived primitive cell:')
Debug.write('%7.2f %7.2f %7.2f %6.2f %6.2f %6.2f' % \
tuple(self._primitive_unit_cell))
return
def _index_prepare(self):
# prepare to do some autoindexing
super(LabelitIndexerII, self)._index_prepare()
assert self._indxr_input_cell is not None, "Unit cell required for LabelitIndexerII"
# calculate the correct primitive unit cell
if self._indxr_input_cell and self._indxr_input_lattice:
ls = LatticeSymmetry()
ls.set_lattice(self._indxr_input_lattice)
ls.set_cell(self._indxr_input_cell)
ls.generate()
self._primitive_unit_cell = ls.get_cell('aP')
Debug.write('Given lattice %s and unit cell:' % \
self._indxr_input_lattice)
Debug.write('%7.2f %7.2f %7.2f %6.2f %6.2f %6.2f' % \
tuple(self._indxr_input_cell))
Debug.write('Derived primitive cell:')
Debug.write('%7.2f %7.2f %7.2f %6.2f %6.2f %6.2f' % \
tuple(self._primitive_unit_cell))
