def build_fitted_diffraction_pattern(self, fit_global_parameters):
fitted_patterns = numpy.full(self.diffraction_patterns_number, None)
for index in range(self.diffraction_patterns_number):
wavelength = fit_global_parameters.measured_dataset.incident_radiations[0 if len(fit_global_parameters.measured_dataset.incident_radiations) == 1 else index].wavelength
fitted_pattern = DiffractionPattern()
fitted_intensity = fit_function_direct(self.twotheta_experimental_list[index],
fit_global_parameters,
diffraction_pattern_index=index)
fitted_residual = self.intensity_experimental_list[index] - fitted_intensity
for i in range(0, len(fitted_intensity)):
diffraction_point = DiffractionPoint(twotheta=self.twotheta_experimental_list[index][i],
intensity=fitted_intensity[i],
error=fitted_residual[i])
diffraction_point.apply_wavelength(wavelength)
fitted_pattern.add_diffraction_point(diffraction_point=diffraction_point)
fitted_patterns[index] = fitted_pattern
return fitted_patterns
def remove_all(self):
if ConfirmDialog.confirmed(
parent=self,
message="Confirm Removal of ALL diffraction Pattern?"):
self.diffraction_pattern_tabs.clear()
self.diffraction_pattern_box_array = []
diffraction_pattern_box = DiffractionPatternBox(
widget=self,
parent=gui.createTabPage(
self.diffraction_pattern_tabs,
DiffractionPattern.get_default_name(0)),
index=0)
self.diffraction_pattern_box_array.append(diffraction_pattern_box)
self.tabs.clear()
self.tab_diff = []
self.tabs_data_plot = []
self.tab_data = []
self.tab_plot = []
self.plot = []
self.table_data = []
self.tab_diff.append(
gui.createTabPage(self.tabs,
DiffractionPattern.get_default_name(0)))
self.tabs_data_plot.append(gui.tabWidget(self.tab_diff[0]))
self.tab_data.append(
gui.createTabPage(self.tabs_data_plot[0], "Data"))
self.tab_plot.append(
gui.createTabPage(self.tabs_data_plot[0], "Plot"))
self.plot.append(PlotWindow())
self.plot[0].setDefaultPlotLines(True)
self.plot[0].setActiveCurveColor(color="#00008B")
self.plot[0].setGraphXLabel(r"2$\theta$")
self.plot[0].setGraphYLabel("Intensity")
self.tab_plot[0].layout().addWidget(self.plot[0])
table_widget = self.create_table_widget()
self.table_data.append(table_widget)
self.tab_data[0].layout().addWidget(table_widget,
alignment=Qt.AlignHCenter)
self.dumpSettings()
def __init__(self):
super().__init__(show_automatic_box=True)
line_profiles_box = gui.widgetBox(self.controlArea,
"Line Profiles", orientation="vertical",
width=self.CONTROL_AREA_WIDTH - 10, height=600)
button_box = gui.widgetBox(line_profiles_box,
"", orientation="horizontal",
width=self.CONTROL_AREA_WIDTH-25)
gui.button(button_box, self, "Send Line Profiles", height=40, callback=self.send_line_profiles)
self.line_profiles_tabs = gui.tabWidget(line_profiles_box)
self.line_profiles_box_array = []
for index in range(len(self.reflections_of_phases)):
line_profiles_tab = gui.createTabPage(self.line_profiles_tabs, DiffractionPattern.get_default_name(index))
line_profiles_box = LineProfileBox(widget=self,
parent=line_profiles_tab,
diffraction_pattern_index = index,
reflections_of_phases = self.reflections_of_phases[index],
limits = self.limits[index],
limit_types = self.limit_types[index])
self.line_profiles_box_array.append(line_profiles_box)
runaction = OWAction("Send Line Profiles", self)
runaction.triggered.connect(self.send_line_profiles)
self.addAction(runaction)
orangegui.rubber(self.controlArea)
def diffraction_pattern_name(cls,
fit_global_parameter,
diffraction_pattern_index,
use_single_set=False):
if use_single_set:
return "All Diffraction Patterns"
elif fit_global_parameter is None:
return DiffractionPattern.get_default_name(0)
else:
return fit_global_parameter.measured_dataset.get_diffraction_pattern(
diffraction_pattern_index).get_name(diffraction_pattern_index)
def remove(self):
if self.diffraction_pattern_tabs.count() <= 1:
QMessageBox.critical(
self, "Error",
"Remove not possible, Fit process needs at least 1 element",
QMessageBox.Ok)
else:
current_index = self.diffraction_pattern_tabs.currentIndex()
if ConfirmDialog.confirmed(
parent=self,
message="Confirm Removal of " +
self.diffraction_pattern_tabs.tabText(current_index) +
"?"):
self.diffraction_pattern_tabs.removeTab(current_index)
self.diffraction_pattern_box_array.pop(current_index)
self.tabs.removeTab(current_index)
self.tab_diff.pop(current_index)
self.tabs_data_plot.pop(current_index)
self.tab_data.pop(current_index)
self.tab_plot.pop(current_index)
self.plot.pop(current_index)
self.table_data.pop(current_index)
for index in range(current_index,
self.diffraction_pattern_tabs.count()):
self.diffraction_pattern_tabs.setTabText(
index, DiffractionPattern.get_default_name(index))
self.diffraction_pattern_box_array[index].index = index
self.tabs.setTabText(
index, DiffractionPattern.get_default_name(index))
self.dumpSettings()
self.diffraction_pattern_tabs.setCurrentIndex(current_index)
self.tabs.setCurrentIndex(current_index)
def __init__(self):
super().__init__(show_automatic_box=False)
main_box = gui.widgetBox(self.controlArea,
"Load Diffraction Pattern",
orientation="vertical",
width=self.CONTROL_AREA_WIDTH - 5,
height=600)
button_box = gui.widgetBox(main_box,
"",
orientation="horizontal",
width=self.CONTROL_AREA_WIDTH - 25)
gui.button(button_box,
self,
"Load Data",
height=50,
callback=self.load_diffraction_patterns)
tabs_button_box = gui.widgetBox(main_box,
"",
addSpace=False,
orientation="horizontal")
btns = [
gui.button(tabs_button_box,
self,
"Insert Before",
callback=self.insert_before),
gui.button(tabs_button_box,
self,
"Insert After",
callback=self.insert_after),
gui.button(tabs_button_box, self, "Remove", callback=self.remove),
gui.button(tabs_button_box,
self,
"Remove All",
callback=self.remove_all)
]
for btn in btns:
btn.setFixedHeight(40)
btns[3].setStyleSheet("color: red")
font = QFont(btns[3].font())
font.setItalic(True)
btns[3].setFont(font)
self.diffraction_pattern_tabs = gui.tabWidget(main_box)
self.diffraction_pattern_box_array = []
for index in range(len(self.filename)):
diffraction_pattern_tab = gui.createTabPage(
self.diffraction_pattern_tabs,
DiffractionPattern.get_default_name(index))
diffraction_pattern_box = DiffractionPatternBox(
widget=self,
parent=diffraction_pattern_tab,
index=index,
filename=self.filename[index],
twotheta_min=self.twotheta_min[index],
twotheta_has_min=self.twotheta_has_min[index],
twotheta_max=self.twotheta_max[index],
twotheta_has_max=self.twotheta_has_max[index],
diffraction_pattern_name=self.diffraction_pattern_name[index])
self.diffraction_pattern_box_array.append(diffraction_pattern_box)
self.tabs = gui.tabWidget(self.mainArea)
self.tab_diff = []
self.tabs_data_plot = []
self.tab_data = []
self.tab_plot = []
self.plot = []
self.table_data = []
for index in range(len(self.filename)):
self.tab_diff.append(
gui.createTabPage(self.tabs,
DiffractionPattern.get_default_name(index)))
self.tabs_data_plot.append(gui.tabWidget(self.tab_diff[index]))
self.tab_data.append(
gui.createTabPage(self.tabs_data_plot[index], "Data"))
self.tab_plot.append(
gui.createTabPage(self.tabs_data_plot[index], "Plot"))
self.plot.append(PlotWindow())
self.plot[index].setDefaultPlotLines(True)
self.plot[index].setActiveCurveColor(color="#00008B")
self.plot[index].setGraphXLabel(r"2$\theta$")
self.plot[index].setGraphYLabel("Intensity")
self.tab_plot[index].layout().addWidget(self.plot[index])
table_widget = self.create_table_widget()
self.table_data.append(table_widget)
self.tab_data[index].layout().addWidget(table_widget,
alignment=Qt.AlignHCenter)
runaction = OWAction("Load Diffraction Patterns", self)
runaction.triggered.connect(self.load_diffraction_patterns)
self.addAction(runaction)
def insert_after(self):
current_index = self.diffraction_pattern_tabs.currentIndex()
if ConfirmDialog.confirmed(
parent=self,
message="Confirm Insertion of a new element after " +
self.diffraction_pattern_tabs.tabText(current_index) + "?"):
diffraction_pattern_tab = gui.widgetBox(
self.diffraction_pattern_tabs, addToLayout=0, margin=4)
diffraction_pattern_box = DiffractionPatternBox(
widget=self,
parent=diffraction_pattern_tab,
index=current_index + 1)
diffraction_pattern_box.after_change_workspace_units()
diffraction_pattern_pd_tab = gui.widgetBox(self.tabs,
addToLayout=0,
margin=4)
if current_index == self.diffraction_pattern_tabs.count(
) - 1: # LAST
self.diffraction_pattern_tabs.addTab(diffraction_pattern_tab,
"TEMP")
self.diffraction_pattern_box_array.append(
diffraction_pattern_box)
self.tabs.addTab(diffraction_pattern_pd_tab, "TEMP")
self.tab_diff.append(diffraction_pattern_pd_tab)
self.tabs_data_plot.append(
gui.tabWidget(self.tab_diff[current_index + 1]))
self.tab_data.append(
gui.createTabPage(self.tabs_data_plot[current_index + 1],
"Data"))
self.tab_plot.append(
gui.createTabPage(self.tabs_data_plot[current_index + 1],
"Plot"))
self.plot.append(PlotWindow())
self.plot[current_index + 1].setDefaultPlotLines(True)
self.plot[current_index +
1].setActiveCurveColor(color="#00008B")
self.plot[current_index + 1].setGraphXLabel(r"2$\theta$")
self.plot[current_index + 1].setGraphYLabel("Intensity")
self.tab_plot[current_index + 1].layout().addWidget(
self.plot[current_index + 1])
scrollarea = QScrollArea(self.tab_data[current_index])
scrollarea.setMinimumWidth(805)
scrollarea.setMinimumHeight(605)
self.table_data.append(self.create_table_widget())
scrollarea.setWidget(self.table_data[current_index + 1])
scrollarea.setWidgetResizable(1)
self.tab_data[current_index + 1].layout().addWidget(
scrollarea, alignment=Qt.AlignHCenter)
else:
self.diffraction_pattern_tabs.insertTab(
current_index + 1, diffraction_pattern_tab, "TEMP")
self.diffraction_pattern_box_array.insert(
current_index + 1, diffraction_pattern_box)
self.tabs.insertTab(current_index + 1,
diffraction_pattern_pd_tab, "TEMP")
self.tab_diff.insert(current_index + 1,
diffraction_pattern_pd_tab)
self.tabs_data_plot.insert(
current_index + 1,
gui.tabWidget(self.tab_diff[current_index + 1]))
self.tab_data.insert(
current_index + 1,
gui.createTabPage(self.tabs_data_plot[current_index + 1],
"Data"))
self.tab_plot.insert(
current_index + 1,
gui.createTabPage(self.tabs_data_plot[current_index + 1],
"Plot"))
self.plot.insert(current_index + 1, PlotWindow())
self.plot[current_index + 1].setDefaultPlotLines(True)
self.plot[current_index +
1].setActiveCurveColor(color="#00008B")
self.plot[current_index + 1].setGraphXLabel(r"2$\theta$")
self.plot[current_index + 1].setGraphYLabel("Intensity")
self.tab_plot[current_index + 1].layout().addWidget(
self.plot[current_index + 1])
scrollarea = QScrollArea(self.tab_data[current_index + 1])
scrollarea.setMinimumWidth(805)
scrollarea.setMinimumHeight(605)
self.table_data.insert(current_index + 1,
self.create_table_widget())
scrollarea.setWidget(self.table_data[current_index + 1])
scrollarea.setWidgetResizable(1)
self.tab_data[current_index + 1].layout().addWidget(
scrollarea, alignment=Qt.AlignHCenter)
for index in range(current_index,
self.diffraction_pattern_tabs.count()):
self.diffraction_pattern_tabs.setTabText(
index, DiffractionPattern.get_default_name(index))
self.diffraction_pattern_box_array[index].index = index
self.tabs.setTabText(
index, DiffractionPattern.get_default_name(index))
self.dumpSettings()
self.diffraction_pattern_tabs.setCurrentIndex(current_index + 1)
self.tabs.setCurrentIndex(current_index + 1)