Reactivity - annotation

* angewandte style

prasopes/__init__.py

@@ -13,7 +13,7 @@ from . import zcetools_help
 from . import reactivitytools
 
 
-__version__ = "0.0.29"
+__version__ = "0.0.30"
 
 
 __all__ = ['config', 'datatools', 'docks', 'drltools', 'drltoos_gui', 'filetools',

prasopes/reactivitytools.py

@@ -127,16 +127,13 @@ def pop_dial(augCanvas, drls, graph, labels, parselect):
     # Do not do anything when data set is not populated
     if len(augCanvas.ds) == 0:
         return
-    parint = parselect.currentIndex()
-    coef1 = settings.value(
-            "reactivity/coef_a_par{}".format(parint), type=float)
-    coef2 = settings.value(
-            "reactivity/coef_b_par{}".format(parint), type=float)
-    markersize = settings.value(
-            "reactivity/markersize_par{}".format(parint), type=float)
-    showlabel = settings.value(
-            "reactivity/showlabel_par{}".format(parint), type=int)
+
+    def getconfval(name, type, parselect=parselect):
+        par = "reactivity/{}_par{}".format(name, parselect.currentIndex())
+        logger.debug("Getting "+par)
+        return settings.value(par, type=type)
     graph.clear()
+    labels['xlabel'] = getconfval("xlabel", str)
     gt.pop_plot([0], [0], graph, labels)
     names, times, intensities = drl.get_daughterset(augCanvas.ds, drls)
     colorargs = [row for row in range(drls['dt'].rowCount())
@@ -156,6 +153,8 @@ def pop_dial(augCanvas, drls, graph, labels, parselect):
 
     pressures = []
     lastpos = 0
+    coef1 = getconfval("coef_a", float)
+    coef2 = getconfval("coef_b", float)
     for time in times:
         toavg = []
         for i in range(lastpos, parlen):
@@ -178,8 +177,7 @@ def pop_dial(augCanvas, drls, graph, labels, parselect):
         return
     nptpressures = np.asarray(pressures).T[0]
     goodtimes = np.where([t in nptpressures for t in times])
-    alpha = settings.value("reactivity/transparency_par{}".format(
-        parint), type=int)
+    alpha = getconfval("transparency", float)
     transcolors = [np.append(i, alpha) for i in gt.colors]
     for i in range(1, len(intensities)):
         label = drls['pt'].item(colorargs[i], 0).text()
@@ -189,11 +187,13 @@ def pop_dial(augCanvas, drls, graph, labels, parselect):
         graph.plot(np.asarray(pressures).T[1], relint[goodtimes],
                    label=label, color=(transcolors[
                        colorargs[i] % len(transcolors)] / 255), marker=".",
-                   markersize=markersize, linestyle="None")
-    if showlabel:
-        legend = graph.legend(loc=settings.value(
-            "reactivity/labelloc_par{}".format(parint), type=float))
+                   markersize=getconfval("markersize", float),
+                   linestyle="None")
+    if getconfval("showlabel", int):
+        legend = graph.legend(loc=getconfval("labelloc", int))
         [lh._legmarker.set_alpha(1) for lh in legend.legendHandles]
+    graph.text(0, 1, getconfval("figann", str), va="top",
+               transform=graph.figure.transFigure, in_layout=False)
 
     graph.autoscale(True)
     graph.figure.canvas.draw()
@@ -201,7 +201,8 @@ def pop_dial(augCanvas, drls, graph, labels, parselect):
 
 def main_window(parent, augCanvas, update_signal, drls):
     """constructs a dialog window"""
-    reactlabels = dict(name="", xlabel="pressure (mT)", ylabel="rel intensity")
+    reactlabels = dict(name="", xlabel="pressure (mT)",
+                       ylabel="$Intensity$ $\\it→$")
 
     def onclose(widget, event, update_fnc):
         logger.debug("ZCE window custom close routine called")
@@ -234,19 +235,14 @@ def main_window(parent, augCanvas, update_signal, drls):
     formula = QtWidgets.QLabel(
         "Formula for the x-axis: (Parameter - a) * b")
     xannlayout = reactivityParam(parselect, str, "xlabel", "x axis label:")
-
-    def changevalue(x):
-        reactlabels['xlabel'] = x
-        dialspect.set_xlabel(x)
-        graph_canvas.draw()
-    xannlayout.dial.textChanged.connect(changevalue)
     xannlayout.addStretch()
+    figann = reactivityParam(parselect, str, "figann", "Figure annotation:")
     translayout = reactivityParam(
             parselect, int, "transparency", "Transparency (0-255): ", 0, 255)
     translayout.addStretch()
     labelloclayout = reactivityParam(
             parselect, int, "labelloc", "Label location (0-10): ", 0, 10)
-    layouts = [xannlayout, translayout, labelloclayout]
+    layouts = [xannlayout, figann, translayout, labelloclayout]
     layouts.append(reactivityParam(
         parselect, int, "showlabel", "Show Label? (0-1): ", 0, 1))
     layouts.append(reactivityParam(
@@ -254,7 +250,7 @@ def main_window(parent, augCanvas, update_signal, drls):
     layouts.append(reactivityParam(parselect, float, "coef_a", "a: "))
     layouts.append(reactivityParam(parselect, float, "coef_b", "b: "))
 
-    pushbtn = QtWidgets.QPushButton("Recalculate")
+    pushbtn = QtWidgets.QPushButton("Update")
     pushbtn.clicked.connect(lambda: pop_dial(
         augCanvas, drls, dialspect, reactlabels, parselect))