def send_strain(self):
try:
if not self.fit_global_parameters is None:
if not self.rho_function==1: congruence.checkStrictlyPositiveNumber(self.rho, "\u03c1")
if not self.Re_function==1: congruence.checkStrictlyPositiveNumber(self.Re, "Re")
if not self.mix_function==1: congruence.checkPositiveNumber(self.mix, "mix")
if not self.b_function==1: congruence.checkStrictlyPositiveNumber(self.b, "b")
self.fit_global_parameters.strain_parameters = [KrivoglazWilkensModel(rho=self.populate_parameter("rho", KrivoglazWilkensModel.get_parameters_prefix()),
Re=self.populate_parameter("Re", KrivoglazWilkensModel.get_parameters_prefix()),
Ae=self.populate_parameter("Ae", KrivoglazWilkensModel.get_parameters_prefix()),
Be=self.populate_parameter("Be", KrivoglazWilkensModel.get_parameters_prefix()),
As=self.populate_parameter("As", KrivoglazWilkensModel.get_parameters_prefix()),
Bs=self.populate_parameter("Bs", KrivoglazWilkensModel.get_parameters_prefix()),
mix=self.populate_parameter("mix", KrivoglazWilkensModel.get_parameters_prefix()),
b=self.populate_parameter("b", KrivoglazWilkensModel.get_parameters_prefix()))]
self.send("Fit Global Parameters", self.fit_global_parameters)
except Exception as e:
QMessageBox.critical(self, "Error",
str(e),
QMessageBox.Ok)
if self.IS_DEVELOP: raise e
def set_coordination_number(self, coordination_number):
congruence.checkPositiveNumber(coordination_number,
"Coordination Number")
self.coordination_number = coordination_number
if self.coordination_number > 0:
self.nearest_neighbours = numpy.zeros(self.coordination_number)
else:
self.nearest_neighbours = None
def send_lorentz_polarization(self):
try:
if self.use_polarization_factor == 1:
congruence.checkPositiveNumber(self.degree_of_polarization,
"Deg. Pol.")
congruence.checkLessOrEqualThan(self.degree_of_polarization,
1.0, "Deg. Pol.", "1.0")
if not self.fit_global_parameters is None:
if self.use_polarization_factor == 1 and self.use_twotheta_mono == 1:
congruence.checkStrictlyPositiveAngle(
self.twotheta_mono, "2\u03B8 Monochromator")
if self.fit_global_parameters.fit_initialization.thermal_polarization_parameters is None:
self.fit_global_parameters.fit_initialization.thermal_polarization_parameters = \
[ThermalPolarizationParameters(debye_waller_factor=None,
use_lorentz_factor=self.use_lorentz_factor==1,
lorentz_formula = self.lorentz_formula,
use_polarization_factor=self.use_polarization_factor,
twotheta_mono=None if (self.use_polarization_factor==0 or self.use_twotheta_mono==0) else self.twotheta_mono,
beampath=self.beampath,
degree_of_polarization=self.degree_of_polarization)]
else:
self.fit_global_parameters.fit_initialization.thermal_polarization_parameters[
0].use_lorentz_factor = self.use_lorentz_factor == 1
self.fit_global_parameters.fit_initialization.thermal_polarization_parameters[
0].lorentz_formula = self.lorentz_formula
self.fit_global_parameters.fit_initialization.thermal_polarization_parameters[
0].use_polarization_factor = self.use_polarization_factor == 1
self.fit_global_parameters.fit_initialization.thermal_polarization_parameters[
0].twotheta_mono = None if (
self.use_polarization_factor == 0
or self.use_twotheta_mono
== 0) else self.twotheta_mono
self.fit_global_parameters.fit_initialization.thermal_polarization_parameters[
0].degree_of_polarization = self.degree_of_polarization
self.fit_global_parameters.fit_initialization.thermal_polarization_parameters[
0].beampath = self.beampath
self.send("Fit Global Parameters", self.fit_global_parameters)
except Exception as e:
QMessageBox.critical(self, "Error", str(e), QMessageBox.Ok)
if self.IS_DEVELOP: raise e
def _check_attributes_congruence(self):
if self.s is None:
congruence.checkPositiveNumber(self.twotheta, "twotheta")
if self.twotheta is None:
congruence.checkPositiveNumber(self.s, "s")