Changes in src/sas/qtgui/Perspectives/Fitting/FittingWidget.py [daf7c9c:d8d81ea] in sasview

File:

• src/sas/qtgui/Perspectives/Fitting/FittingWidget.py (modified) (28 diffs)

src/sas/qtgui/Perspectives/Fitting/FittingWidget.py

@@ -28 +28 @@
 from sas.qtgui.Plotting.PlotterData import Data1D
 from sas.qtgui.Plotting.PlotterData import Data2D
+from sas.qtgui.Plotting.Plotter import PlotterWidget
 
 from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI
@@ -57 +58 @@
 DEFAULT_POLYDISP_FUNCTION = 'gaussian'
 
+# CRUFT: remove when new release of sasmodels is available
+# https://github.com/SasView/sasview/pull/181#discussion_r218135162
+from sasmodels.sasview_model import SasviewModel
+if not hasattr(SasviewModel, 'get_weights'):
+    def get_weights(self, name):
+        """
+        Returns the polydispersity distribution for parameter *name* as *value* and *weight* arrays.
+        """
+        # type: (str) -> Tuple(np.ndarray, np.ndarray)
+        _, x, w = self._get_weights(self._model_info.parameters[name])
+        return x, w
+
+    SasviewModel.get_weights = get_weights
 
 logger = logging.getLogger(__name__)
@@ -273 +287 @@
         self.theory_item = None
 
+        # list column widths
+        self.lstParamHeaderSizes = {}
+
         # signal communicator
         self.communicate = self.parent.communicate
@@ -361 +378 @@
         self.lstParams.customContextMenuRequested.connect(self.showModelContextMenu)
         self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False)
+        # Column resize signals
+        self.lstParams.header().sectionResized.connect(self.onColumnWidthUpdate)
+
         # Poly model displayed in poly list
         self.lstPoly.setModel(self._poly_model)
@@ -642 +662 @@
         # Create and display the widget for param1 and param2
         mc_widget = MultiConstraint(self, params=params_list)
+        # Check if any of the parameters are polydisperse
+        if not np.any([FittingUtilities.isParamPolydisperse(p, self.model_parameters, is2D=self.is2D) for p in params_list]):
+            # no parameters are pd - reset the text to not show the warning
+            mc_widget.lblWarning.setText("")
         if mc_widget.exec_() != QtWidgets.QDialog.Accepted:
             return
@@ -1108 +1132 @@
         self.SASModelToQModel(model, structure_factor)
 
+        for column, width in self.lstParamHeaderSizes.items():
+            self.lstParams.setColumnWidth(column, width)
+
         # Update plot
         self.updateData()
@@ -1219 +1246 @@
         if model_column in [delegate.poly_pd, delegate.poly_error, delegate.poly_min, delegate.poly_max]:
             row = self.getRowFromName(parameter_name)
-            param_item = self._model_model.item(row)
+            param_item = self._model_model.item(row).child(0).child(0, model_column)
+            if param_item is None:
+                return
             self._model_model.blockSignals(True)
-            param_item.child(0).child(0, model_column).setText(item.text())
+            param_item.setText(item.text())
             self._model_model.blockSignals(False)
 
@@ -1366 +1395 @@
         self.communicate.statusBarUpdateSignal.emit('Fitting started...')
         self.fit_started = True
+
         # Disable some elements
-        self.setFittingStarted()
+        self.disableInteractiveElements()
 
     def stopFit(self):
@@ -1376 +1406 @@
             return
         self.calc_fit.stop()
-        #self.fit_started=False
         #re-enable the Fit button
-        self.setFittingStopped()
+        self.enableInteractiveElements()
 
         msg = "Fitting cancelled."
@@ -1392 +1421 @@
         """
         """
-        self.setFittingStopped()
+        self.enableInteractiveElements()
         msg = "Fitting failed with: "+ str(reason)
         self.communicate.statusBarUpdateSignal.emit(msg)
@@ -1409 +1438 @@
         """
         #re-enable the Fit button
-        self.setFittingStopped()
+        self.enableInteractiveElements()
 
         if len(result) == 0:
@@ -1481 +1510 @@
         """
         #re-enable the Fit button
-        self.setFittingStopped()
+        self.enableInteractiveElements()
 
         if len(result) == 0:
@@ -1666 +1695 @@
         self.iterateOverModel(updatePolyValues)
         self._model_model.itemChanged.connect(self.onMainParamsChange)
-
-        # Adjust the table cells width.
-        # TODO: find a way to dynamically adjust column width while resized expanding
-        self.lstParams.resizeColumnToContents(0)
-        self.lstParams.resizeColumnToContents(4)
-        self.lstParams.resizeColumnToContents(5)
-        self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
 
     def iterateOverPolyModel(self, func):
@@ -2012 +2034 @@
             self.magnet_params = {}
             self.setMagneticModel()
-
-        # Adjust the table cells width
-        self.lstParams.resizeColumnToContents(0)
-        self.lstParams.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding)
 
         # Now we claim the model has been loaded
@@ -2340 +2358 @@
 
         # add polydisperse parameters if asked
-        if self.chkPolydispersity.isChecked():
+        if self.chkPolydispersity.isChecked() and self._poly_model.rowCount() > 0:
             for key, value in self.poly_params.items():
                 model.setParam(key, value)
         # add magnetic params if asked
         if self.chkMagnetism.isChecked():
-            for key, value in self.magnet_params.items():
+            for key, value in self.magnet_params.items() and self._magnet_model.rowCount() > 0:
                 model.setParam(key, value)
 
@@ -2363 +2381 @@
         weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting)
 
+        # Disable buttons/table
+        self.disableInteractiveElements()
         # Awful API to a backend method.
         calc_thread = self.methodCalculateForData()(data=data,
@@ -2404 +2424 @@
         Thread returned error
         """
+        # Bring the GUI to normal state
+        self.enableInteractiveElements()
         print("Calculate Data failed with ", reason)
 
@@ -2416 +2438 @@
         Plot the current 1D data
         """
+        # Bring the GUI to normal state
+        self.enableInteractiveElements()
+
         fitted_data = self.logic.new1DPlot(return_data, self.tab_id)
         residuals = self.calculateResiduals(fitted_data)
@@ -2424 +2449 @@
 
         if self.data_is_loaded:
-            # delete any plots associated with the data that were not updated (e.g. to remove beta(Q), S_eff(Q))
+            # delete any plots associated with the data that were not updated
+            # (e.g. to remove beta(Q), S_eff(Q))
             GuiUtils.deleteRedundantPlots(self.all_data[self.data_index], new_plots)
             pass
         else:
-            # delete theory items for the model, in order to get rid of any redundant items, e.g. beta(Q), S_eff(Q)
+            # delete theory items for the model, in order to get rid of any
+            # redundant items, e.g. beta(Q), S_eff(Q)
             self.communicate.deleteIntermediateTheoryPlotsSignal.emit(self.kernel_module.id)
+
+        # Create plots for parameters with enabled polydispersity
+        for plot in FittingUtilities.plotPolydispersities(return_data.get('model', None)):
+            data_id = fitted_data.id.split()
+            plot.id = "{} [{}] {}".format(data_id[0], plot.name, " ".join(data_id[1:]))
+            data_name = fitted_data.name.split()
+            plot.name = " ".join([data_name[0], plot.name] + data_name[1:])
+            self.createNewIndex(plot)
+            new_plots.append(plot)
 
         # Create plots for intermediate product data
@@ -2445 +2481 @@
         Plot the current 2D data
         """
+        # Bring the GUI to normal state
+        self.enableInteractiveElements()
+
         fitted_data = self.logic.new2DPlot(return_data)
         residuals = self.calculateResiduals(fitted_data)
@@ -2479 +2518 @@
         residuals_plot = FittingUtilities.plotResiduals(self.data, weighted_data)
         residuals_plot.id = "Residual " + residuals_plot.id
+        residuals_plot.plot_role = Data1D.ROLE_RESIDUAL
         self.createNewIndex(residuals_plot)
         return residuals_plot
@@ -2514 +2554 @@
         Thread threw an exception.
         """
+        # Bring the GUI to normal state
+        self.enableInteractiveElements()
         # TODO: remimplement thread cancellation
         logger.error("".join(traceback.format_exception(etype, value, tb)))
@@ -2725 +2767 @@
         self._poly_model.setData(fname_index, fname)
 
+    def onColumnWidthUpdate(self, index, old_size, new_size):
+        """
+        Simple state update of the current column widths in the  param list
+        """
+        self.lstParamHeaderSizes[index] = new_size
+
     def setMagneticModel(self):
         """
@@ -2796 +2844 @@
 
         func = QtWidgets.QComboBox()
-        # Available range of shells displayed in the combobox
-        func.addItems([str(i) for i in range(param_length+1)])
-
-        # Respond to index change
-        func.currentIndexChanged.connect(self.modifyShellsInList)
 
         # cell 2: combobox
         item2 = QtGui.QStandardItem()
-        self._model_model.appendRow([item1, item2])
+
+        # cell 3: min value
+        item3 = QtGui.QStandardItem()
+
+        # cell 4: max value
+        item4 = QtGui.QStandardItem()
+
+        # cell 4: SLD button
+        item5 = QtGui.QStandardItem()
+        button = QtWidgets.QPushButton()
+        button.setText("Show SLD Profile")
+
+        self._model_model.appendRow([item1, item2, item3, item4, item5])
 
         # Beautify the row:  span columns 2-4
         shell_row = self._model_model.rowCount()
         shell_index = self._model_model.index(shell_row-1, 1)
+        button_index = self._model_model.index(shell_row-1, 4)
 
         self.lstParams.setIndexWidget(shell_index, func)
+        self.lstParams.setIndexWidget(button_index, button)
         self._n_shells_row = shell_row - 1
 
@@ -2823 +2880 @@
             logger.error("Could not find %s in kernel parameters.", param_name)
         default_shell_count = shell_par.default
+        shell_min = 0
+        shell_max = 0
+        try:
+            shell_min = int(shell_par.limits[0])
+            shell_max = int(shell_par.limits[1])
+        except IndexError as ex:
+            # no info about limits
+            pass
+        item3.setText(str(shell_min))
+        item4.setText(str(shell_max))
+
+        # Respond to index change
+        func.currentTextChanged.connect(self.modifyShellsInList)
+
+        # Respond to button press
+        button.clicked.connect(self.onShowSLDProfile)
+
+        # Available range of shells displayed in the combobox
+        func.addItems([str(i) for i in range(shell_min, shell_max+1)])
 
         # Add default number of shells to the model
-        func.setCurrentIndex(default_shell_count)
-
-    def modifyShellsInList(self, index):
+        func.setCurrentText(str(default_shell_count))
+
+    def modifyShellsInList(self, text):
         """
         Add/remove additional multishell parameters
@@ -2834 +2910 @@
         first_row = self._n_shells_row + 1
         remove_rows = self._num_shell_params
-
+        try:
+            index = int(text)
+        except ValueError:
+            # bad text on the control!
+            index = 0
+            logger.error("Multiplicity incorrect! Setting to 0")
+        self.kernel_module.multiplicity = index
         if remove_rows > 1:
             self._model_model.removeRows(first_row, remove_rows)
@@ -2861 +2943 @@
         self.setMagneticModel()
 
-    def setFittingStarted(self):
-        """
-        Set buttion caption on fitting start
+    def onShowSLDProfile(self):
+        """
+        Show a quick plot of SLD profile
+        """
+        # get profile data
+        x, y = self.kernel_module.getProfile()
+        y *= 1.0e6
+        profile_data = Data1D(x=x, y=y)
+        profile_data.name = "SLD"
+        profile_data.scale = 'linear'
+        profile_data.symbol = 'Line'
+        profile_data.hide_error = True
+        profile_data._xaxis = "R(\AA)"
+        profile_data._yaxis = "SLD(10^{-6}\AA^{-2})"
+
+        plotter = PlotterWidget(self, quickplot=True)
+        plotter.data = profile_data
+        plotter.showLegend = True
+        plotter.plot(hide_error=True, marker='-')
+
+        self.plot_widget = QtWidgets.QWidget()
+        self.plot_widget.setWindowTitle("Scattering Length Density Profile")
+        layout = QtWidgets.QVBoxLayout()
+        layout.addWidget(plotter)
+        self.plot_widget.setLayout(layout)
+        self.plot_widget.show()
+
+    def setInteractiveElements(self, enabled=True):
+        """
+        Switch interactive GUI elements on/off
+        """
+        assert isinstance(enabled, bool)
+
+        self.lstParams.setEnabled(enabled)
+        self.lstPoly.setEnabled(enabled)
+        self.lstMagnetic.setEnabled(enabled)
+
+        self.cbCategory.setEnabled(enabled)
+        self.cbModel.setEnabled(enabled)
+        self.cbStructureFactor.setEnabled(enabled)
+
+        self.chkPolydispersity.setEnabled(enabled)
+        self.chkMagnetism.setEnabled(enabled)
+        self.chk2DView.setEnabled(enabled)
+
+    def enableInteractiveElements(self):
+        """
+        Set buttion caption on fitting/calculate finish
+        Enable the param table(s)
+        """
+        # Notify the user that fitting is available
+        self.cmdFit.setStyleSheet('QPushButton {color: black;}')
+        self.cmdFit.setText("Fit")
+        self.fit_started = False
+        self.setInteractiveElements(True)
+
+    def disableInteractiveElements(self):
+        """
+        Set buttion caption on fitting/calculate start
+        Disable the param table(s)
         """
         # Notify the user that fitting is being run
@@ -2869 +3008 @@
         self.cmdFit.setStyleSheet('QPushButton {color: red;}')
         self.cmdFit.setText('Stop fit')
-
-    def setFittingStopped(self):
-        """
-        Set button caption on fitting stop
-        """
-        # Notify the user that fitting is available
-        self.cmdFit.setStyleSheet('QPushButton {color: black;}')
-        self.cmdFit.setText("Fit")
-        self.fit_started = False
+        self.setInteractiveElements(False)
 
     def readFitPage(self, fp):