plot DSC data and baselines

src/gui_qt/dsc/glass_dialog.py

@@ -13,6 +13,8 @@ class TgCalculator(QtWidgets.QDialog, Ui_Dialog):
         self._management = management
 
         self._plots = {}
+        self._tg_baselines = {}
+        self.dsc = []
 
         self.limits = RegionItem(), RegionItem()
         for lim in self.limits:
@@ -26,18 +28,54 @@ class TgCalculator(QtWidgets.QDialog, Ui_Dialog):
         # s.valuesChanged.connect(self.management.shift_scale)
 
     def clear(self):
+        self.dsc = []
         self.listWidget.clear()
-        for k, v in self._plots.items():
+        for v in self._plots.values():
             self.graphicsView.removeItem(v)
+        self._plots = {}
+
+        for v in self._tg_baselines.values():
+            self.graphicsView.removeItem(v)
+        self._tg_baselines = {}
 
     def add_sets(self):
         for key, name in self._management.active_sets:
             data = self._management.data[key]
-            if not isinstance(data.data, DSC):
+            if isinstance(data.data, DSC):
+                self.dsc.append(data)
+            else:
                 continue
 
             item = QtWidgets.QListWidgetItem(name)
             item.setData(QtCore.Qt.UserRole, key)
+            self.listWidget.addItem(item)
+
             plot = PlotItem(x=data.x, y=data.y)
             self.graphicsView.addItem(plot)
             self._plots[key] = plot
+
+    @QtCore.pyqtSlot(name='on_pushButton_clicked')
+    def calc_tg(self):
+        baselines = tuple(lim.getRegion() for lim in self.limits)
+        if baselines[0][0] > baselines[1][0]:
+            baselines = baselines[1], baselines[0]
+
+        for idx in range(self.listWidget.count()):
+            key = self.listWidget.item(idx).data(QtCore.Qt.UserRole)
+            tg_results, glass, liquid, tangent = self._management[key].data.glass_transition(*baselines)
+
+            lines = []
+            for line in (glass, liquid, tangent):
+                plt = PlotItem(line[:, 0], line[:, 1])
+                self.graphicsView.addItem(plt)
+                lines.append(plt)
+            self._tg_baselines[key] = lines
+
+            tg_plot = PlotItem(*zip((i for i in tg_results.values())))
+            self.graphicsView.addItem(tg_plot)
+
+    def close(self) -> bool:
+        self.clear()
+
+        return super().close()
+