def __init__(self):
super().__init__(show_automatic_box=True)
main_box = gui.widgetBox(self.controlArea,
"Constrast Factor Calculator Parameters",
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 Constrast Factor A/B Parameters",
height=50,
callback=self.send_contrast_factor_a_b)
contrast_factor_box = gui.widgetBox(main_box,
"Elastic Constants",
orientation="vertical",
height=300,
width=self.CONTROL_AREA_WIDTH - 30)
gui.lineEdit(contrast_factor_box,
self,
"c11",
"c11",
labelWidth=90,
valueType=float)
gui.lineEdit(contrast_factor_box,
self,
"c12",
"c12",
labelWidth=90,
valueType=float)
gui.lineEdit(contrast_factor_box,
self,
"c44",
"c44",
labelWidth=90,
valueType=float)
text_area_box = gui.widgetBox(contrast_factor_box,
"Calculation Result",
orientation="vertical",
height=160,
width=self.CONTROL_AREA_WIDTH - 50)
self.text_area = gui.textArea(height=120,
width=self.CONTROL_AREA_WIDTH - 70,
readOnly=True)
self.text_area.setText("")
self.text_area.setStyleSheet("font-family: Courier, monospace;")
text_area_box.layout().addWidget(self.text_area)
orangegui.separator(main_box, height=280)
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)
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 __init__(self,
widget=None,
parent=None,
index = 0,
a = 0.0,
a_fixed = 0,
a_has_min = 0,
a_min = 0.0,
a_has_max = 0,
a_max = 0.0,
a_function = 0,
a_function_value = "",
symmetry = 2,
use_structure = 0,
formula = "",
intensity_scale_factor = 1.0,
intensity_scale_factor_fixed = 0,
intensity_scale_factor_has_min = 0,
intensity_scale_factor_min = 0.0,
intensity_scale_factor_has_max = 0,
intensity_scale_factor_max = 0.0,
intensity_scale_factor_function = 0,
intensity_scale_factor_function_value = "",
reflections = "",
limit = 0.0,
limit_type = 0):
super(CrystalStructureBox, self).__init__(parent)
OWComponent.__init__(self)
self.setLayout(QtWidgets.QVBoxLayout())
self.layout().setAlignment(Qt.AlignTop)
self.setFixedWidth(widget.CONTROL_AREA_WIDTH - 35)
self.setFixedHeight(500)
self.widget = widget
self.index = index
self.a = a
self.a_fixed = a_fixed
self.a_has_min = a_has_min
self.a_min = a_min
self.a_has_max = a_has_max
self.a_max = a_max
self.a_function = a_function
self.a_function_value = a_function_value
self.symmetry = symmetry
self.use_structure = use_structure
self.formula = formula
self.intensity_scale_factor = intensity_scale_factor
self.intensity_scale_factor_fixed = intensity_scale_factor_fixed
self.intensity_scale_factor_has_min = intensity_scale_factor_has_min
self.intensity_scale_factor_min = intensity_scale_factor_min
self.intensity_scale_factor_has_max = intensity_scale_factor_has_max
self.intensity_scale_factor_max = intensity_scale_factor_max
self.intensity_scale_factor_function = intensity_scale_factor_function
self.intensity_scale_factor_function_value = intensity_scale_factor_function_value
self.reflections = reflections
self.limit = limit
self.limit_type = limit_type
self.CONTROL_AREA_WIDTH = widget.CONTROL_AREA_WIDTH
container = gui.widgetBox(parent, "", orientation="vertical", width=self.CONTROL_AREA_WIDTH-45)
self.cb_symmetry = orangegui.comboBox(container, self, "symmetry", label="Symmetry", items=Symmetry.tuple(), callback=self.set_symmetry, orientation="horizontal")
widget.create_box_in_widget(self, container, "a", "a [nm]", add_callback=True)
orangegui.separator(container)
structure_box = gui.widgetBox(container,
"", orientation="vertical",
width=self.CONTROL_AREA_WIDTH - 45)
orangegui.comboBox(structure_box, self, "use_structure", label="Use Structural Model", items=["No", "Yes"],
callback=self.set_structure, labelWidth=350, orientation="horizontal")
self.structure_box_1 = gui.widgetBox(structure_box,
"", orientation="vertical",
width=self.CONTROL_AREA_WIDTH - 50, height=60)
gui.lineEdit(self.structure_box_1, self, "formula", "Chemical Formula", labelWidth=90, valueType=str, callback=widget.dump_formula)
widget.create_box_in_widget(self, self.structure_box_1, "intensity_scale_factor", "I0", add_callback=True)
self.structure_box_2 = gui.widgetBox(structure_box,
"", orientation="vertical",
width=self.CONTROL_AREA_WIDTH - 50, height=60)
orangegui.separator(container)
gen_box = gui.widgetBox(container, "Generate Reflections", orientation="horizontal")
le_limit = gui.lineEdit(gen_box, self, "limit", "Limit", labelWidth=90, valueType=float, validator=QDoubleValidator(), callback=widget.dump_limit)
cb_limit = orangegui.comboBox(gen_box, self, "limit_type", label="Kind", items=["None", "Nr. Peaks", "2Theta Max"], orientation="horizontal")
def set_limit(limit_type):
if limit_type == 0:
le_limit.setText("-1")
le_limit.setEnabled(False)
else:
le_limit.setEnabled(True)
if not self.is_on_init:
widget.dump_limit()
widget.dump_limit_type()
cb_limit.currentIndexChanged.connect(set_limit)
set_limit(self.limit_type)
gui.button(gen_box, self, "Generate Reflections", callback=self.generate_reflections)
self.set_structure()
reflection_box = gui.widgetBox(container,
"Reflections", orientation="vertical",
width=self.CONTROL_AREA_WIDTH - 50)
orangegui.label(reflection_box, self, "h, k, l, <intensity_name> int <, min value, max value>")
scrollarea = QScrollArea(reflection_box)
scrollarea.setMaximumWidth(self.CONTROL_AREA_WIDTH - 85)
scrollarea.setMinimumWidth(self.CONTROL_AREA_WIDTH - 85)
def write_text():
self.reflections = self.text_area.toPlainText()
if not self.is_on_init: widget.dump_reflections()
self.text_area = gui.textArea(height=500, width=1000, readOnly=False)
self.text_area.setText(self.reflections)
self.text_area.setStyleSheet("font-family: Courier, monospace;")
self.text_area.textChanged.connect(write_text)
scrollarea.setWidget(self.text_area)
scrollarea.setWidgetResizable(1)
reflection_box.layout().addWidget(scrollarea, alignment=Qt.AlignHCenter)
self.is_on_init = False