def setup_method(self): self._geometry = SixCircleGammaOnArmGeometry() self.reflist = ReflectionList(self._geometry, ['a', 'd', 'g', 'o', 'c', 'p']) self.time = datetime.now() pos = Pos(0.1, 0.2, 0.3, 0.4, 0.5, 0.6) self.reflist.add_reflection(1, 2, 3, pos, 1000, "ref1", self.time) pos = Pos(0.11, 0.22, 0.33, 0.44, 0.55, 0.66) self.reflist.add_reflection(1.1, 2.2, 3.3, pos, 1100, "ref2", self.time)
def decode_reflist(reflist_dict, geometry, diffractometer_axes_names, multiplier): reflections = [] try: sorted_ref_keys = sorted(reflist_dict.keys(), key=int) except ValueError: logger.warning("Warning: Invalid index found in the stored list of reflections. " "Please check the reflection list order.") sorted_ref_keys = sorted(reflist_dict.keys()) for key in sorted_ref_keys: reflections.append(decode_reflection(reflist_dict[key], geometry)) return ReflectionList(geometry, diffractometer_axes_names, reflections, multiplier)
def _clear(self, name=None): # NOTE the Diffraction calculator is expecting this object to exist in # the long run. We can't remove this entire object, and recreate it. # It also contains a required link to the angle calculator. reflist = ReflectionList(self._geometry, self._get_diffractometer_axes_names()) reference = YouReference(self._get_UB) self._state = UBCalcState(name=name, reflist=reflist, reference=reference) self._U = None self._UB = None self._state.configure_calc_type()
def _clear(self, name=None): # NOTE the Diffraction calculator is expecting this object to exist in # the long run. We can't remove this entire object, and recreate it. # It also contains a required link to the angle calculator. reflist = ReflectionList( settings.geometry, self._get_diffractometer_axes_names(), multiplier=settings.hardware.energyScannableMultiplierToGetKeV) orientlist = OrientationList(settings.geometry, self._get_diffractometer_axes_names()) reference = YouReference(self._get_UB) reference._set_n_hkl_configured(settings.reference_vector) surface = YouReference(self._get_UB) surface._set_n_phi_configured(settings.surface_vector) self._state = UBCalcState(name=name, reflist=reflist, orientlist=orientlist, reference=reference, surface=surface) self._U = None self._UB = None self._state.configure_calc_type()
def decode_reflist(reflist_dict, geometry, diffractometer_axes_names): reflections = [] for key in sorted(reflist_dict.keys()): reflections.append(decode_reflection(reflist_dict[key], geometry)) return ReflectionList(geometry, diffractometer_axes_names, reflections)