Reactivity support - improvement

* Reactivity support as intended
* code not tested against files in progres
* stability not tested

prasopes/config.py

@@ -21,6 +21,9 @@ def settings():
                ("imggen/dpi", 300),
                ("imggen/xtics", 5),
                ("imggen/onlymanann", False),
+               ("reactivity/index", 0),
+               ("reactivity/coef1", 0),
+               ("reactivity/coef2", 0),
                ("recents", "")}
     [settings.setValue(*i)
      for i in defvals if not settings.contains(i[0])]

prasopes/reactivitytools.py

@@ -20,12 +20,23 @@ matplotlib.use("Qt5Agg")
 
 logger = logging.getLogger('drlLogger')
 
+def update_parselect(augCanvas, parselect):
+    index = parselect.currentIndex()
+    if index == -1:
+        index = cf.settings().value("reactivity/index", type=int)
+    parlist = [ ": ".join([str(i), j]) for i,j in
+               enumerate(augCanvas.ms['params'][0])]
+    parselect.clear()
+    parselect.addItems(parlist)
+    if index <= len(parlist):
+        parselect.setCurrentIndex(index)
 
-def pop_dial(augCanvas, drls, graph, labels):
+def pop_dial(augCanvas, drls, graph, labels, parselect, coef1, coef2):
     logger.debug("populating reactivity dialog")
     # Do not do anything when data set is not populated
     if len(augCanvas.ds) == 0:
         return
+    update_parselect(augCanvas, parselect)
     graph.clear()
     gt.pop_plot([0], [0], graph, labels)
     names, times, intensities = drl.get_daughterset(augCanvas.ds, drls)
@@ -39,8 +50,8 @@ def pop_dial(augCanvas, drls, graph, labels):
         toavg = []
         for i in range(lastpos,parlen):
             if float(params[i][0]) == time:
-                #toavg.append(param[36])
-                toavg.append((-(float(params[i][1])-24.09))/1000)
+                toavg.append((float(params[i][parselect.currentIndex()])
+                              -coef1.value())*coef2.value())
                 lastpos = i
             elif float(params[i][0]) > time:
                 break
@@ -68,7 +79,8 @@ def main_window(parent, augCanvas, update_signal, drls):
         QtWidgets.QDialog.closeEvent(widget, event)
 
     def update_fnc():
-        pop_dial(augCanvas, drls, dialspect, reactlabels)
+        pop_dial(augCanvas, drls, dialspect, reactlabels, parselect,
+                 coef1, coef2)
 
     dial_widget = QtWidgets.QDialog(
             parent, windowTitle='TSQ reactivity interpreter')
@@ -84,8 +96,42 @@ def main_window(parent, augCanvas, update_signal, drls):
     gt.zoom_factory(dialspect, 1.15, reactlabels)
     gt.pan_factory(dialspect, reactlabels)
 
+    parlabel = QtWidgets.QLabel("Parameter: ")
+    parselect = QtWidgets.QComboBox()
+    parselect.currentIndexChanged.connect(lambda x:
+            cf.settings().setValue("reactivity/index", x))
+    formula = QtWidgets.QLabel(
+        "Formula for the x-axis: (Parameter - a) * b")
+    label1 = QtWidgets.QLabel("a: ", alignment=130)
+    coef1 = QtWidgets.QDoubleSpinBox(
+        decimals=4, minimum=float("-inf"), maximum=float("inf"))
+    coef1.setValue(cf.settings().value("reactivity/coef1", type=float))
+    coef1.valueChanged.connect(lambda x:
+            cf.settings().setValue("reactivity/coef1", x))
+    label2 = QtWidgets.QLabel("b: ", alignment=130)
+    coef2 = QtWidgets.QDoubleSpinBox(
+        decimals=4, minimum=float("-inf"), maximum=float("inf"))
+    coef2.setValue(cf.settings().value("reactivity/coef2", type=float))
+    coef2.valueChanged.connect(lambda x:
+            cf.settings().setValue("reactivity/coef2", x))
+    pushbtn = QtWidgets.QPushButton("Recalculate")
+    pushbtn.clicked.connect(lambda: pop_dial(
+        augCanvas, drls, dialspect, reactlabels, parselect, coef1, coef2))
+
+    param_layout = QtWidgets.QHBoxLayout()
+    [param_layout.addWidget(i) for i in [parlabel, parselect]]
+    param_layout.addStretch()
+
+    coef_layout = QtWidgets.QHBoxLayout()
+    for i in [label1, coef1, label2, coef2]:
+        coef_layout.addWidget(i)
+
     dial_layout = QtWidgets.QVBoxLayout(dial_widget)
     dial_layout.addWidget(graph_canvas)
+    dial_layout.addLayout(param_layout)
+    dial_layout.addWidget(formula)
+    dial_layout.addLayout(coef_layout)
+    dial_layout.addWidget(pushbtn)
     dial_widget.setFocus()
     dial_widget.show()
-    pop_dial(augCanvas, drls, dialspect, reactlabels)
+    pop_dial(augCanvas, drls, dialspect, reactlabels, parselect, coef1, coef2)