Changeset 9b17efd in sasview

Timestamp:

Sep 11, 2018 7:40:15 AM (6 years ago)

Author:

wojciech

Branches:

ESS_GUI, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc

Children:

551f2bc

Parents:

28965e9 (diff), 343d7fd (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'ESS_GUI' of ​https://github.com/SasView/sasview into ESS_GUI_Pr_fixes

Location:

src/sas

Files:

• qtgui/Perspectives/Fitting/FittingUtilities.py (modified) (1 diff)
• qtgui/Perspectives/Fitting/FittingWidget.py (modified) (5 diffs)
• qtgui/Plotting/PlotterBase.py (modified) (2 diffs)
• qtgui/Perspectives/Inversion/DMaxExplorerWidget.py (modified) (5 diffs)
• qtgui/Perspectives/Inversion/InversionPerspective.py (modified) (10 diffs)
• sascalc/pr/invertor.py (modified) (5 diffs)

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

@@ -128 +128 @@
 
             # Find param in volume_params
-            for p in parameters.form_volume_parameters:
+            poly_pars = parameters.form_volume_parameters
+            if is2D:
+                poly_pars += parameters.orientation_parameters
+            for p in poly_pars:
                 if p.name != param.name:
                     continue

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

@@ -1219 +1219 @@
         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)
 
@@ -2796 +2798 @@
 
         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()
+
+        self._model_model.appendRow([item1, item2, item3, item4])
 
         # Beautify the row:  span columns 2-4
@@ -2823 +2827 @@
             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)
+
+        # 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 +2854 @@
         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")
 
         if remove_rows > 1:
@@ -2848 +2874 @@
         self.current_shell_displayed = index
 
-        # Change 'n' in the parameter model, thereby updating the underlying model
+        # Param values for existing shells were reset to default; force all changes into kernel module
+        for row in new_rows:
+            par = row[0].text()
+            val = GuiUtils.toDouble(row[1].text())
+            self.kernel_module.setParam(par, val)
+
+        # Change 'n' in the parameter model; also causes recalculation
         self._model_model.item(self._n_shells_row, 1).setText(str(index))
 

src/sas/qtgui/Plotting/PlotterBase.py

@@ -10 +10 @@
 
 import matplotlib.pyplot as plt
+from matplotlib import rcParams
 
 DEFAULT_CMAP = pylab.cm.jet
@@ -29 +30 @@
         self.manager = manager
         self.quickplot = quickplot
+
+        # Set auto layout so x/y axis captions don't get cut off
+        rcParams.update({'figure.autolayout': True})
 
         #plt.style.use('ggplot')

src/sas/qtgui/Perspectives/Inversion/DMaxExplorerWidget.py

@@ -42 +42 @@
         self.parent = parent
 
-        self.setWindowTitle("Dₐₓ Explorer")
+        self.setWindowTitle("Dmax Explorer")
 
         self.pr_state = pr_state
@@ -116 +116 @@
         bck = []
         chi2 = []
-
+        plotable_xs = [] #Introducing this to make sure size of x and y for plotting is the same.8
         try:
             dmin = float(self.model.item(W.DMIN).text())
@@ -128 +128 @@
 
         original = self.pr_state.d_max
+
         for x in xs:
             self.pr_state.d_max = x
@@ -140 +141 @@
                 bck.append(self.pr_state.background)
                 chi2.append(self.pr_state.chi2)
+                plotable_xs.append(x)
             except Exception as ex:
                 # This inversion failed, skip this D_max value
@@ -188 +190 @@
             y_unit = "a.u."
 
-        data = Data1D(xs, ys)
+        data = Data1D(plotable_xs, ys)
         if self.hasPlot:
             self.plot.removePlot(None)

src/sas/qtgui/Perspectives/Inversion/InversionPerspective.py

@@ -43 +43 @@
     estimateSignal = QtCore.pyqtSignal(tuple)
     estimateNTSignal = QtCore.pyqtSignal(tuple)
+    estimateDynamicNTSignal = QtCore.pyqtSignal(tuple)
+    estimateDynamicSignal = QtCore.pyqtSignal(tuple)
     calculateSignal = QtCore.pyqtSignal(tuple)
 
@@ -194 +196 @@
         self.model.itemChanged.connect(self.model_changed)
         self.estimateNTSignal.connect(self._estimateNTUpdate)
+        self.estimateDynamicNTSignal.connect(self._estimateDynamicNTUpdate)
+        self.estimateDynamicSignal.connect(self._estimateDynamicUpdate)
         self.estimateSignal.connect(self._estimateUpdate)
         self.calculateSignal.connect(self._calculateUpdate)
+
+        self.maxDistanceInput.textEdited.connect(self.performEstimateDynamic)
 
     def setupMapper(self):
@@ -309 +315 @@
                                             and not self.isCalculating)
         self.removeButton.setEnabled(self.logic.data_is_loaded)
-        self.explorerButton.setEnabled(self.logic.data_is_loaded
-                                       and np.all(self.logic.data.dy != 0))
+        self.explorerButton.setEnabled(self.logic.data_is_loaded)
         self.stopButton.setVisible(self.isCalculating)
         self.regConstantSuggestionButton.setEnabled(
@@ -501 +506 @@
         self.dataPlot = self._dataList[data_ref].get(DICT_KEYS[2])
         self.performEstimate()
+
+    def updateDynamicGuiValues(self):
+        pr = self._calculator
+        alpha = self._calculator.suggested_alpha
+        self.model.setItem(WIDGETS.W_MAX_DIST,
+                            QtGui.QStandardItem("{:.4g}".format(pr.get_dmax())))
+        self.regConstantSuggestionButton.setText("{:-3.2g}".format(alpha))
+        self.noOfTermsSuggestionButton.setText(
+             "{:n}".format(self.nTermsSuggested))
+
+        self.enableButtons()
 
     def updateGuiValues(self):
@@ -520 +536 @@
         self.model.setItem(WIDGETS.W_MAX_DIST,
                            QtGui.QStandardItem("{:.4g}".format(pr.get_dmax())))
-        self.regConstantSuggestionButton.setText("{:-3.2g}".format(alpha))
-        self.noOfTermsSuggestionButton.setText(
-            "{:n}".format(self.nTermsSuggested))
 
         if isinstance(pr.chi2, np.ndarray):
@@ -671 +684 @@
         self.estimationThreadNT.ready(2.5)
 
+    def performEstimateDynamicNT(self):
+        """
+        Perform parameter estimation
+        """
+        from .Thread import EstimateNT
+
+        self.updateCalculator()
+
+        # If a thread is already started, stop it
+        self.stopEstimateNTThread()
+
+        pr = self._calculator.clone()
+        # Skip the slit settings for the estimation
+        # It slows down the application and it doesn't change the estimates
+        pr.slit_height = 0.0
+        pr.slit_width = 0.0
+        nfunc = self.getNFunc()
+
+        self.estimationThreadNT = EstimateNT(pr, nfunc,
+                                             error_func=self._threadError,
+                                             completefn=self._estimateDynamicNTCompleted,
+                                             updatefn=None)
+        self.estimationThreadNT.queue()
+        self.estimationThreadNT.ready(2.5)
+
     def stopEstimateNTThread(self):
         if (self.estimationThreadNT is not None and
@@ -693 +731 @@
         self.estimationThread.ready(2.5)
 
+    def performEstimateDynamic(self):
+        """
+            Perform parameter estimation
+        """
+        from .Thread import EstimatePr
+
+        # If a thread is already started, stop it
+        self.stopEstimationThread()
+
+        self.estimationThread = EstimatePr(self._calculator.clone(),
+                                           self.getNFunc(),
+                                           error_func=self._threadError,
+                                           completefn=self._estimateDynamicCompleted,
+                                           updatefn=None)
+        self.estimationThread.queue()
+        self.estimationThread.ready(2.5)
+
     def stopEstimationThread(self):
         """ Stop the estimation thread if it exists and is running """
@@ -705 +760 @@
         ''' Send a signal to the main thread for model update'''
         self.estimateSignal.emit((alpha, message, elapsed))
+
+    def _estimateDynamicCompleted(self, alpha, message, elapsed):
+        ''' Send a signal to the main thread for model update'''
+        self.estimateDynamicSignal.emit((alpha, message, elapsed))
 
     def _estimateUpdate(self, output_tuple):
@@ -720 +779 @@
             logger.info(message)
         self.performEstimateNT()
+        self.performEstimateDynamicNT()
+
+    def _estimateDynamicUpdate(self, output_tuple):
+        """
+        Parameter estimation completed,
+        display the results to the user
+
+        :param alpha: estimated best alpha
+        :param elapsed: computation time
+        """
+        alpha, message, elapsed = output_tuple
+        self._calculator.alpha = alpha
+        self._calculator.elapsed += self._calculator.elapsed
+        if message:
+            logger.info(message)
+        self.performEstimateDynamicNT()
 
     def _estimateNTCompleted(self, nterms, alpha, message, elapsed):
         ''' Send a signal to the main thread for model update'''
         self.estimateNTSignal.emit((nterms, alpha, message, elapsed))
+
+    def _estimateDynamicNTCompleted(self, nterms, alpha, message, elapsed):
+        ''' Send a signal to the main thread for model update'''
+        self.estimateDynamicNTSignal.emit((nterms, alpha, message, elapsed))
 
     def _estimateNTUpdate(self, output_tuple):
@@ -747 +826 @@
             self.startThread()
 
+    def _estimateDynamicNTUpdate(self, output_tuple):
+        """
+        Parameter estimation completed,
+        display the results to the user
+
+        :param alpha: estimated best alpha
+        :param nterms: estimated number of terms
+        :param elapsed: computation time
+        """
+        nterms, alpha, message, elapsed = output_tuple
+        self._calculator.elapsed += elapsed
+        self._calculator.suggested_alpha = alpha
+        self.nTermsSuggested = nterms
+        # Save useful info
+        self.updateDynamicGuiValues()
+        if message:
+            logger.info(message)
+        if self.isBatch:
+            self.acceptAlpha()
+            self.acceptNoTerms()
+            self.startThread()
+
     def _calculateCompleted(self, out, cov, pr, elapsed):
         ''' Send a signal to the main thread for model update'''

src/sas/sascalc/pr/invertor.py

@@ -71 +71 @@
         A[j][i] = (Fourier transformed base function for point j)
 
-    We them choose a number of r-points, n_r, to evaluate the second
+    We then choose a number of r-points, n_r, to evaluate the second
     derivative of P(r) at. This is used as our regularization term.
     For a vector r of length n_r, the following n_r rows are set to ::
@@ -144 +144 @@
         x, y, err, d_max, q_min, q_max and alpha
         """
-        if   name == 'x':
+        if name == 'x':
             if 0.0 in value:
                 msg = "Invertor: one of your q-values is zero. "
@@ -227 +227 @@
         return None
 
+    def add_errors(self, yvalues):
+        """
+        Adds errors to data set is they are not avaialble
+        :return:
+        """
+        stats_errors = np.zeros(len(yvalues))
+        for i in range(len(yvalues)):
+            # Scale the error so that we can fit over several decades of Q
+            scale = 0.05 * np.sqrt(yvalues[i])
+            min_err = 0.01 * yvalues[i]
+            stats_errors[i] = scale * np.sqrt(np.fabs(yvalues[i])) + min_err
+        logger.warning("Simulated errors have been added to the data set\n")
+        return stats_errors
+
     def clone(self):
         """
@@ -244 +258 @@
         invertor.x = self.x
         invertor.y = self.y
-        invertor.err = self.err
+        if np.size(self.err) == 0 or np.all(self.err) == 0:
+            invertor.err = self.add_errors(self.y)
+        else:
+            invertor.err = self.err
         invertor.est_bck = self.est_bck
         invertor.background = self.background
@@ -268 +285 @@
             A[i][j] = (Fourier transformed base function for point j)
 
-        We them choose a number of r-points, n_r, to evaluate the second
+        We then choose a number of r-points, n_r, to evaluate the second
         derivative of P(r) at. This is used as our regularization term.
         For a vector r of length n_r, the following n_r rows are set to ::