extrapolate_fit (#21)

New sets with arbitrary x range can be created from fit results

Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: IPKM/nmreval#21

src/gui_qt/fit/result.py

@@ -11,7 +11,7 @@ from ..lib.pg_objects import PlotItem
 
 
 class QFitResult(QtWidgets.QDialog, Ui_Dialog):
-    closed = QtCore.pyqtSignal(dict, list, str, bool, dict)
+    closed = QtCore.pyqtSignal(dict, list, str, bool, bool, list)
     redoFit = QtCore.pyqtSignal(dict)
 
     def __init__(self, results: list, management, parent=None):
@@ -20,10 +20,17 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
 
         self._management = management
 
+        self.maxx_line.setValidator(QtGui.QDoubleValidator())
+        self.minx_line.setValidator(QtGui.QDoubleValidator())
+        self.numx_line.setValidator(QtGui.QIntValidator())
+        self.extrapolate_box.stateChanged.connect(lambda x: self.maxx_line.setEnabled(x))
+        self.extrapolate_box.stateChanged.connect(lambda x: self.minx_line.setEnabled(x))
+        self.extrapolate_box.stateChanged.connect(lambda x: self.numx_line.setEnabled(x))
+
         self._prevs = {}
         self._models = {}
 
-        for (res, parts) in results:
+        for res in results:
             idx = res.idx
             data_k = management.data[idx]
 
@@ -36,8 +43,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
             for fit in data_k.get_fits():
                 self._prevs[idx].append((fit.name, fit.statistics, fit.nobs-fit.nvar))
 
-        self._results = {res.idx: res for (res, _) in results}
-        self._parts = {res.idx: parts for (res, parts) in results}
+        self._results = {res.idx: res for res in results}
         self._opts = [(False, False) for _ in range(len(self._results))]
 
         self.residplot = self.graphicsView.addPlot(row=0, col=0)
@@ -273,12 +279,75 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
 
             plot_fits = self.curve_checkbox.isChecked()
 
-            if self.partial_checkBox.checkState() == QtCore.Qt.Checked:
-                self.closed.emit(self._results, self._opts, graph, plot_fits, self._parts)
-            else:
-                self.closed.emit(self._results, self._opts, graph, plot_fits, {})
 
+            parts = self.partial_checkBox.checkState() == QtCore.Qt.Checked
+
+            extrapolate = [None, None, None]
+            if self.extrapolate_box.isChecked():
+                try:
+                    extrapolate[0] = float(self.minx_line.text())
+                except TypeError:
+                    pass
+                try:
+                    extrapolate[1] = float(self.maxx_line.text())
+                except TypeError:
+                    pass
+                try:
+                    extrapolate[2] = int(self.numx_line.text())
+                except TypeError:
+                    pass
+
+
+            self.closed.emit(self._results, self._opts, graph, plot_fits, parts, extrapolate)
             self.accept()
 
         else:
             self.reject()
+
+
+class FitExtension(QtWidgets.QDialog):
+    def __init__(self, parent=None):
+        super().__init__(parent=parent)
+        gridLayout = QtWidgets.QGridLayout(self)
+
+        self.label = QtWidgets.QLabel('Minimum value')
+        gridLayout.addWidget(self.label, 0, 0, 1, 1)
+
+        self.min_line = QtWidgets.QLineEdit()
+        self.min_line.setValidator(QtGui.QDoubleValidator())
+        gridLayout.addWidget(self.min_line, 0, 1, 1, 1)
+
+        self.label_2 = QtWidgets.QLabel('Maximum value')
+        gridLayout.addWidget(self.label_2, 1, 0, 1, 1)
+
+        self.max_line = QtWidgets.QLineEdit()
+        self.max_line.setValidator(QtGui.QDoubleValidator())
+        gridLayout.addWidget(self.max_line, 1, 1, 1, 1)
+
+        self.label_3 = QtWidgets.QLabel('Number of pts.')
+        gridLayout.addWidget(self.label_3, 2, 0, 1, 1)
+
+        self.num_pts = QtWidgets.QLineEdit()
+        self.num_pts.setValidator(QtGui.QIntValidator())
+        gridLayout.addWidget(self.num_pts, 2, 1, 1, 1)
+
+        self.buttonBox = QtWidgets.QDialogButtonBox()
+        self.buttonBox.setOrientation(QtCore.Qt.Horizontal)
+        self.buttonBox.setStandardButtons(QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok)
+        gridLayout.addWidget(self.buttonBox, 3, 0, 1, 2)
+
+        self.setLayout(gridLayout)
+
+        self.buttonBox.accepted.connect(self.accept)
+        self.buttonBox.rejected.connect(self.reject)
+
+    @property
+    def values(self):
+        try:
+            xmin = float(self.min_line.text())
+            xmax = float(self.max_line.text())
+            nums = int(self.num_pts.text())
+        except TypeError:
+            return None
+
+        return xmin, xmax, nums