def __init__(self):
super().__init__(show_automatic_box=True)
main_box = gui.widgetBox(self.controlArea,
"", orientation="vertical",
width=self.CONTROL_AREA_WIDTH - 10, height=600)
button_box = gui.widgetBox(main_box,
"", orientation="horizontal",
width=self.CONTROL_AREA_WIDTH-25)
gui.button(button_box, self, "Send Free Input Parameters", height=50, callback=self.send_free_input_parameters)
tabs = gui.tabWidget(main_box)
tab_free_in = gui.createTabPage(tabs, "Free Input Parameters")
self.scrollarea_free_in = QScrollArea(tab_free_in)
self.scrollarea_free_in.setMinimumWidth(self.CONTROL_AREA_WIDTH-45)
self.scrollarea_free_in.setMinimumHeight(260)
self.text_area_free_in = gui.textArea(height=500, width=self.CONTROL_AREA_WIDTH-65, readOnly=False)
self.text_area_free_in.setText(self.free_input_parameters)
self.scrollarea_free_in.setWidget(self.text_area_free_in)
self.scrollarea_free_in.setWidgetResizable(1)
tab_free_in.layout().addWidget(self.scrollarea_free_in, alignment=Qt.AlignHCenter)
def __init__(self):
super().__init__(show_automatic_box=True)
if self.IS_FIX: self.fix_input()
crystal_box = gui.widgetBox(self.controlArea,
"Crystal Structure", orientation="vertical",
width=self.CONTROL_AREA_WIDTH - 10, height=600)
button_box = gui.widgetBox(crystal_box,
"", orientation="horizontal",
width=self.CONTROL_AREA_WIDTH-25)
gui.button(button_box, self, "Send Crystal Structure", height=50, callback=self.send_fit_initialization)
self.crystal_structure_tabs = gui.tabWidget(crystal_box)
self.crystal_structure_box_array = []
for index in range(len(self.a)):
crystal_structure_tab = gui.createTabPage(self.crystal_structure_tabs, "Diff. Patt. " + str(index + 1))
crystal_structure_box = CrystalStructureBox(widget=self,
parent=crystal_structure_tab,
index = index,
a = self.a[index],
a_fixed = self.a_fixed[index],
a_has_min = self.a_has_min[index],
a_min = self.a_min[index],
a_has_max = self.a_has_max[index],
a_max = self.a_max[index],
a_function = self.a_function[index],
a_function_value = self.a_function_value[index],
symmetry = self.symmetry[index],
use_structure = self.use_structure[index],
formula = self.formula[index],
intensity_scale_factor = self.intensity_scale_factor[index],
intensity_scale_factor_fixed = self.intensity_scale_factor_fixed[index],
intensity_scale_factor_has_min = self.intensity_scale_factor_has_min[index],
intensity_scale_factor_min = self.intensity_scale_factor_min[index],
intensity_scale_factor_has_max = self.intensity_scale_factor_has_max[index],
intensity_scale_factor_max = self.intensity_scale_factor_max[index],
intensity_scale_factor_function = self.intensity_scale_factor_function[index],
intensity_scale_factor_function_value= self.intensity_scale_factor_function_value[index],
reflections = self.reflections[index],
limit = self.limit[index],
limit_type = self.limit_type[index])
self.crystal_structure_box_array.append(crystal_structure_box)
def build_plot_fit(self):
fit_global_parameter = self.fit_global_parameters if self.fitted_fit_global_parameters is None else self.fitted_fit_global_parameters
self.plot_fit = []
self.tabs_plot_fit_data.clear()
for index in range(1 if fit_global_parameter is None else len(fit_global_parameter.fit_initialization.diffraction_patterns)):
tab_plot_fit_data = gui.createTabPage(self.tabs_plot_fit_data, "Diff. Patt. " + str(index+1))
plot_fit = PlotWindow()
plot_fit.setDefaultPlotLines(True)
plot_fit.setActiveCurveColor(color="#00008B")
plot_fit.setGraphXLabel(r"2$\theta$ (deg)")
plot_fit.setGraphYLabel("Intensity")
self.plot_fit.append(plot_fit)
tab_plot_fit_data.layout().addWidget(plot_fit)
def __init__(self):
super().__init__(show_automatic_box=True)
main_box = gui.widgetBox(self.controlArea, "Fitter Setting", orientation="vertical", width=self.CONTROL_AREA_WIDTH)
button_box = gui.widgetBox(main_box, "", orientation="vertical", width=self.CONTROL_AREA_WIDTH-15, height=70)
button_box_1 = gui.widgetBox(button_box, "", orientation="horizontal")
self.fit_button = gui.button(button_box_1, self, "Fit", height=40, callback=self.do_fit)
self.fit_button.setStyleSheet("color: #252468")
font = QFont(self.fit_button.font())
font.setBold(True)
font.setPixelSize(18)
self.fit_button.setFont(font)
self.stop_fit_button = gui.button(button_box_1, self, "STOP", height=40, callback=self.stop_fit)
self.stop_fit_button.setStyleSheet("color: red")
font = QFont(self.stop_fit_button.font())
font.setBold(True)
font.setItalic(True)
self.stop_fit_button.setFont(font)
button_box_2 = gui.widgetBox(button_box, "", orientation="horizontal")
gui.button(button_box_2, self, "Send Current Fit", height=40, callback=self.send_current_fit)
gui.button(button_box_2, self, "Save Data", height=40, callback=self.save_data)
orangegui.separator(main_box)
self.cb_fitter = orangegui.comboBox(main_box, self, "fitter_name", label="Fit algorithm", items=FitterName.tuple(), orientation="horizontal")
iteration_box = gui.widgetBox(main_box, "", orientation="horizontal", width=250)
gui.lineEdit(iteration_box, self, "n_iterations", "Nr. Iterations", labelWidth=80, valueType=int, validator=QIntValidator())
orangegui.checkBox(iteration_box, self, "is_incremental", "Incremental")
iteration_box = gui.widgetBox(main_box, "", orientation="vertical", width=250)
self.le_current_iteration = gui.lineEdit(iteration_box, self, "current_iteration", "Current Iteration", labelWidth=120, valueType=int, orientation="horizontal")
self.le_current_iteration.setReadOnly(True)
self.le_current_iteration.setStyleSheet("background-color: #FAFAB0; color: #252468")
font = QFont(self.le_current_iteration.font())
font.setBold(True)
self.le_current_iteration.setFont(font)
orangegui.separator(main_box)
self.plot_box = gui.widgetBox(main_box, "Plotting Options", orientation="vertical", width=self.CONTROL_AREA_WIDTH-20)
self.cb_interactive = orangegui.checkBox(self.plot_box, self, "is_interactive", "Refresh Plots while fitting", callback=self.set_interactive)
orangegui.separator(self.plot_box, height=8)
self.cb_show_wss_gof = orangegui.checkBox(self.plot_box, self, "show_wss_gof", "Refresh W.S.S. and G.o.F. plots" )
orangegui.separator(self.plot_box)
self.cb_show_ipf = orangegui.checkBox(self.plot_box, self, "show_ipf", "Refresh Instrumental Profile plots")
orangegui.separator(self.plot_box)
self.cb_show_shift = orangegui.checkBox(self.plot_box, self, "show_shift", "Refresh Calibration Shift plots")
orangegui.separator(self.plot_box)
self.cb_show_size = orangegui.checkBox(self.plot_box, self, "show_size", "Refresh Size Distribution plot")
orangegui.separator(self.plot_box)
self.cb_show_warren = orangegui.checkBox(self.plot_box, self, "show_warren", "Refresh Warren's plot")
self.set_interactive()
tab_free_out = gui.widgetBox(main_box, "Free Output Parameters", orientation="vertical")
self.scrollarea_free_out = QScrollArea(tab_free_out)
self.scrollarea_free_out.setMinimumWidth(self.CONTROL_AREA_WIDTH-55)
self.scrollarea_free_out.setMaximumHeight(170)
def write_text():
self.free_output_parameters_text = self.text_area_free_out.toPlainText()
self.text_area_free_out = gui.textArea(height=1000, width=1000, readOnly=False)
self.text_area_free_out.setText(self.free_output_parameters_text)
self.text_area_free_out.textChanged.connect(write_text)
self.scrollarea_free_out.setWidget(self.text_area_free_out)
self.scrollarea_free_out.setWidgetResizable(1)
tab_free_out.layout().addWidget(self.scrollarea_free_out, alignment=Qt.AlignHCenter)
self.tabs = gui.tabWidget(self.mainArea)
self.tab_fit_in = gui.createTabPage(self.tabs, "Fit Input Parameters")
self.tab_plot = gui.createTabPage(self.tabs, "Plots")
self.tab_fit_out = gui.createTabPage(self.tabs, "Fit Output Parameters")
self.tabs_plot = gui.tabWidget(self.tab_plot)
self.tab_plot_fit_data = gui.createTabPage(self.tabs_plot, "Fit")
self.tab_plot_fit_wss = gui.createTabPage(self.tabs_plot, "W.S.S.")
self.tab_plot_fit_gof = gui.createTabPage(self.tabs_plot, "G.o.F.")
self.tab_plot_ipf = gui.createTabPage(self.tabs_plot, "Instrumental Profile")
self.tab_plot_size = gui.createTabPage(self.tabs_plot, "Size Distribution")
self.tab_plot_strain = gui.createTabPage(self.tabs_plot, "Warren's Plot")
self.std_output = gui.textArea(height=100, width=800)
self.std_output.setStyleSheet("font-family: Courier, monospace;")
out_box = gui.widgetBox(self.mainArea, "System Output", addSpace=False, orientation="horizontal")
out_box.layout().addWidget(self.std_output)
self.tabs_plot_fit_data = gui.tabWidget(self.tab_plot_fit_data)
self.tabs_plot_ipf = gui.tabWidget(self.tab_plot_ipf)
self.tab_plot_fwhm = gui.createTabPage(self.tabs_plot_ipf, "Caglioti's FWHM")
self.tab_plot_eta = gui.createTabPage(self.tabs_plot_ipf, "Caglioti's \u03b7")
self.tab_plot_lab6 = gui.createTabPage(self.tabs_plot_ipf, "LaB6 Tan Correction")
self.build_plot_fit()
self.plot_fit_wss = PlotWindow()
self.plot_fit_wss.setDefaultPlotLines(True)
self.plot_fit_wss.setActiveCurveColor(color="#00008B")
self.plot_fit_wss.setGraphXLabel("Iteration")
self.plot_fit_wss.setGraphYLabel("WSS")
self.tab_plot_fit_wss.layout().addWidget(self.plot_fit_wss)
self.plot_fit_gof = PlotWindow()
self.plot_fit_gof.setDefaultPlotLines(True)
self.plot_fit_gof.setActiveCurveColor(color="#00008B")
self.plot_fit_gof.setGraphXLabel("Iteration")
self.plot_fit_gof.setGraphYLabel("GOF")
self.tab_plot_fit_gof.layout().addWidget(self.plot_fit_gof)
self.plot_size = PlotWindow()
self.plot_size.setDefaultPlotLines(True)
self.plot_size.setActiveCurveColor(color="#00008B")
self.plot_size.setGraphTitle("Crystalline Domains Size Distribution")
self.plot_size.setGraphXLabel(r"D [nm]")
self.plot_size.setGraphYLabel("Frequency")
self.tab_plot_size.layout().addWidget(self.plot_size)
self.plot_strain = PlotWindow(control=True)
legendsDockWidget = LegendsDockWidget(plot=self.plot_strain)
self.plot_strain._legendsDockWidget = legendsDockWidget
self.plot_strain._dockWidgets.append(legendsDockWidget)
self.plot_strain.addDockWidget(qt.Qt.RightDockWidgetArea, legendsDockWidget)
self.plot_strain._legendsDockWidget.setFixedWidth(120)
self.plot_strain.getLegendsDockWidget().show()
self.plot_strain.setDefaultPlotLines(True)
self.plot_strain.setActiveCurveColor(color="#00008B")
self.plot_strain.setGraphTitle("Warren's plot")
self.plot_strain.setGraphXLabel(r"L [nm]")
self.plot_strain.setGraphYLabel("$\sqrt{<{\Delta}L^{2}>}$ [nm]")
self.tab_plot_strain.layout().addWidget(self.plot_strain)
box = gui.widgetBox(self.tab_plot_fwhm, "", orientation="horizontal")
boxl = gui.widgetBox(box, "", orientation="vertical")
boxr = gui.widgetBox(box, "", orientation="vertical", width=150)
def set_fwhm_autoscale():
self.le_fwhm_xmin.setEnabled(self.fwhm_autoscale==0)
self.le_fwhm_xmax.setEnabled(self.fwhm_autoscale==0)
self.le_fwhm_ymin.setEnabled(self.fwhm_autoscale==0)
self.le_fwhm_ymax.setEnabled(self.fwhm_autoscale==0)
orangegui.checkBox(boxr, self, "fwhm_autoscale", "Autoscale", callback=set_fwhm_autoscale)
self.le_fwhm_xmin = gui.lineEdit(boxr, self, "fwhm_xmin", "2\u03b8 min", labelWidth=70, valueType=float)
self.le_fwhm_xmax = gui.lineEdit(boxr, self, "fwhm_xmax", "2\u03b8 max", labelWidth=70, valueType=float)
self.le_fwhm_ymin = gui.lineEdit(boxr, self, "fwhm_ymin", "FWHM min", labelWidth=70, valueType=float)
self.le_fwhm_ymax = gui.lineEdit(boxr, self, "fwhm_ymax", "FWHM max", labelWidth=70, valueType=float)
gui.button(boxr, self, "Refresh", height=40, callback=self.refresh_caglioti_fwhm)
set_fwhm_autoscale()
self.plot_ipf_fwhm = PlotWindow()
self.plot_ipf_fwhm.setDefaultPlotLines(True)
self.plot_ipf_fwhm.setActiveCurveColor(color="#00008B")
self.plot_ipf_fwhm.setGraphXLabel("2\u03b8 (deg)")
self.plot_ipf_fwhm.setGraphYLabel("FWHM (deg)")
boxl.layout().addWidget(self.plot_ipf_fwhm)
box = gui.widgetBox(self.tab_plot_eta, "", orientation="horizontal")
boxl = gui.widgetBox(box, "", orientation="vertical")
boxr = gui.widgetBox(box, "", orientation="vertical", width=150)
def set_eta_autoscale():
self.le_eta_xmin.setEnabled(self.eta_autoscale==0)
self.le_eta_xmax.setEnabled(self.eta_autoscale==0)
self.le_eta_ymin.setEnabled(self.eta_autoscale==0)
self.le_eta_ymax.setEnabled(self.eta_autoscale==0)
orangegui.checkBox(boxr, self, "eta_autoscale", "Autoscale", callback=set_eta_autoscale)
self.le_eta_xmin = gui.lineEdit(boxr, self, "eta_xmin", "2\u03b8 min", labelWidth=70, valueType=float)
self.le_eta_xmax = gui.lineEdit(boxr, self, "eta_xmax", "2\u03b8 max", labelWidth=70, valueType=float)
self.le_eta_ymin = gui.lineEdit(boxr, self, "eta_ymin", "\u03b7 min", labelWidth=70, valueType=float)
self.le_eta_ymax = gui.lineEdit(boxr, self, "eta_ymax", "\u03b7 max", labelWidth=70, valueType=float)
gui.button(boxr, self, "Refresh", height=40, callback=self.refresh_caglioti_eta)
set_eta_autoscale()
self.plot_ipf_eta = PlotWindow()
self.plot_ipf_eta.setDefaultPlotLines(True)
self.plot_ipf_eta.setActiveCurveColor(color="#00008B")
self.plot_ipf_eta.setGraphXLabel("2\u03b8 (deg)")
self.plot_ipf_eta.setGraphYLabel("\u03b7")
boxl.layout().addWidget(self.plot_ipf_eta)
box = gui.widgetBox(self.tab_plot_lab6, "", orientation="horizontal")
boxl = gui.widgetBox(box, "", orientation="vertical")
boxr = gui.widgetBox(box, "", orientation="vertical", width=150)
def set_lab6_autoscale():
self.le_lab6_xmin.setEnabled(self.lab6_autoscale==0)
self.le_lab6_xmax.setEnabled(self.lab6_autoscale==0)
self.le_lab6_ymin.setEnabled(self.lab6_autoscale==0)
self.le_lab6_ymax.setEnabled(self.lab6_autoscale==0)
orangegui.checkBox(boxr, self, "lab6_autoscale", "Autoscale", callback=set_lab6_autoscale)
self.le_lab6_xmin = gui.lineEdit(boxr, self, "lab6_xmin", "2\u03b8 min", labelWidth=70, valueType=float)
self.le_lab6_xmax = gui.lineEdit(boxr, self, "lab6_xmax", "2\u03b8 max", labelWidth=70, valueType=float)
self.le_lab6_ymin = gui.lineEdit(boxr, self, "lab6_ymin", "\u0394(2\u03b8) min", labelWidth=70, valueType=float)
self.le_lab6_ymax = gui.lineEdit(boxr, self, "lab6_ymax", "\u0394(2\u03b8) max", labelWidth=70, valueType=float)
gui.button(boxr, self, "Refresh", height=40, callback=self.refresh_lab6)
set_lab6_autoscale()
self.plot_ipf_lab6 = PlotWindow()
self.plot_ipf_lab6.setDefaultPlotLines(True)
self.plot_ipf_lab6.setActiveCurveColor(color="#00008B")
self.plot_ipf_lab6.setGraphXLabel("2\u03b8 (deg)")
self.plot_ipf_lab6.setGraphYLabel("\u0394(2\u03b8) (deg)")
boxl.layout().addWidget(self.plot_ipf_lab6)
# -------------------
self.table_fit_in = self.create_table_widget(is_output=False)
self.tab_fit_in.layout().addWidget(self.table_fit_in, alignment=Qt.AlignHCenter)
# -------------------
self.table_fit_out = self.create_table_widget()
self.tab_fit_out.layout().addWidget(self.table_fit_out, alignment=Qt.AlignHCenter)
def set_data(self, data):
if not data is None:
try:
self.fit_global_parameters = data.duplicate()
diffraction_patterns = self.fit_global_parameters.fit_initialization.diffraction_patterns
crystal_structures = self.fit_global_parameters.fit_initialization.crystal_structures
if diffraction_patterns is None: raise ValueError("No Diffraction Pattern in input data!")
if len(diffraction_patterns) != len(self.crystal_structure_box_array):
recycle = ConfirmDialog.confirmed(message="Number of Diffraction Patterns changed:\ndo you want to use the existing structures where possible?\n\nIf yes, check for possible incongruences",
title="Warning")
self.crystal_structure_tabs.clear()
self.crystal_structure_box_array = []
for index in range(len(diffraction_patterns)):
crystal_structure_tab = gui.createTabPage(self.crystal_structure_tabs, "Diff. Patt. " + str(index + 1))
if recycle and index < len(self.a): #keep the existing
crystal_structure_box = CrystalStructureBox(widget=self,
parent=crystal_structure_tab,
index = index,
a = self.a[index],
a_fixed = self.a_fixed[index],
a_has_min = self.a_has_min[index],
a_min = self.a_min[index],
a_has_max = self.a_has_max[index],
a_max = self.a_max[index],
a_function = self.a_function[index],
a_function_value = self.a_function_value[index],
symmetry = self.symmetry[index],
use_structure = self.use_structure[index],
formula = self.formula[index],
intensity_scale_factor = self.intensity_scale_factor[index],
intensity_scale_factor_fixed = self.intensity_scale_factor_fixed[index],
intensity_scale_factor_has_min = self.intensity_scale_factor_has_min[index],
intensity_scale_factor_min = self.intensity_scale_factor_min[index],
intensity_scale_factor_has_max = self.intensity_scale_factor_has_max[index],
intensity_scale_factor_max = self.intensity_scale_factor_max[index],
intensity_scale_factor_function = self.intensity_scale_factor_function[index],
intensity_scale_factor_function_value= self.intensity_scale_factor_function_value[index],
reflections = self.reflections[index],
limit = self.limit[index],
limit_type = self.limit_type[index])
else:
crystal_structure_box = CrystalStructureBox(widget=self, parent=crystal_structure_tab, index = index)
self.crystal_structure_box_array.append(crystal_structure_box)
elif not crystal_structures is None:
for index in range(len(crystal_structures)):
self.crystal_structure_box_array[index].set_data(crystal_structures[index])
self.dumpSettings()
if self.is_automatic_run:
self.send_fit_initialization()
except Exception as e:
QMessageBox.critical(self, "Error",
str(e),
QMessageBox.Ok)
if self.IS_DEVELOP: raise e