fixes Issues #3, #4, #6

fileio/gracedriver.py

@@ -9,7 +9,9 @@ import numpy as np
 
 
 class GracePlot(object):
-    def __init__(self):
+    def __init__(self, fname):
+        self.fname = fname
+
         self.ls_map = {"None":0, "-":1, ":":2, "--":3, "-.":4 }
 
         # Symbols: 0:None 1:Circle 2:Square 3:Diamond 4:Triangle 5:up 6:left 7:down 8:right, 9:PLus 10:X 11:Star
@@ -33,18 +35,16 @@ class GracePlot(object):
         tmp_fd, tmp_name = tempfile.mkstemp()
         self.tmpfiles.append(tmp_name)
         np.savetxt(tmp_name, np.array([x, y]).T)
-        #tmp_fd.close()
-        # read data in xmgrace
-        self.cmds.append('READ NXY "%s"\n'%tmp_name)
-        self.cmds.append('S%i SYMBOL SIZE 0.7\n'%(self.data_counter))
 
-        #self.cmds.append('S%i SYMBOL FILL COLOR %i\n'%(self.data_counter, self.data_counter))
+        # read data from temporary file
+        self.cmds.append('READ NXY "%s"\n'%tmp_name)
+        self.cmds.append('S%i SYMBOL SIZE 0.5\n'%(self.data_counter))
         self.cmds.append('S%i SYMBOL FILL PATTERN 1\n'%(self.data_counter))
         self.cmds.append('S%i SYMBOL 1\n'%(self.data_counter)) # No line
 
-
         if "label" in kwds.keys():
-            label = kwds["label"]
+            # TODO: implement at least greek symbols and lower upper case (_ and ^)?
+            label = unicode(kwds["label"]).encode('ascii', 'ignore')
             self.cmds.append('S%i LEGEND "%s"\n'%(self.data_counter, label))
 
         if "ls" in kwds.keys():
@@ -121,26 +121,26 @@ class GracePlot(object):
             self.cmds.append('LEGEND OFF\n')
 
 
-    def save(self, fname):
+    def save(self):
         self.cmds.append('AUTOSCALE\n')
-        self.cmds.append('SAVEALL "%s"\n'%fname)
+        self.cmds.append('SAVEALL "%s"\n'%self.fname)
         # write cmds to tmpfile
         tmp_fd, tmp_name = tempfile.mkstemp()
         self.tmpfiles.append(tmp_name)
         tmp_file = open(tmp_name, 'w')
         tmp_file.writelines(self.cmds)
         tmp_file.close()
-        # excecute tempraray xmgrace file to create final agr
+        # excecute temporary xmgrace file to create final agr
-        os.system("xmgrace -batch %s -hardcopy -nosafe -printfile tmp.tmp"%tmp_name)
+        os.system("xmgrace -batch %s -hardcopy -nosafe -printfile tmp.tmp" % tmp_name)
         os.remove("tmp.tmp")
         # prepend color map to the new file
-        with file(fname, 'r') as original_agr: data = original_agr.readlines()
+        with file(self.fname, 'r') as original_agr: data = original_agr.readlines()
         # get the last "@map color ..." line
         last_color_lineno = 0
         for i,line in enumerate(data):
             if line.lower().startswith("@map color"):
                 last_color_lineno = i+1
-        with file(fname, 'w') as new_agr:
+        with file(self.fname, 'w') as new_agr:
             new_agr.writelines(data[:last_color_lineno])
             for color in self.color_map:
                 new_agr.write(self.color_map[color][1])
@@ -164,5 +164,5 @@ if __name__ == "__main__":
     gr.save("test.agr")
     print "created test.agr"
     os.system("xmgrace test.agr")
-    print "deleting test.agr"
+    #print "deleting test.agr"
     #os.remove("test.agr")

qds.py

@@ -130,11 +130,14 @@ class AppWindow(QMainWindow):
         previousFile.triggered.connect(self.previousFile)
         fileMenu.addAction(previousFile)
 
-        saveFile = QAction("&Save Fit Result", self)
+        saveFile = QAction("&Save Fit Result (Data)", self)
         saveFile.setShortcut(QKeySequence.Save)
         saveFile.triggered.connect(self.saveFitResult)
         fileMenu.addAction(saveFile)
 
+        self.ui.actionSave_FitResult.triggered.connect(lambda: self._saveFitFigure(mode="w"))
+        self.ui.actionAppend_Fit.triggered.connect(lambda: self._saveFitFigure(mode="a"))
+
         # fitting methods
         fitMenu = self.menuBar().addMenu("Standard Fits")
         # lm
@@ -313,14 +316,14 @@ class AppWindow(QMainWindow):
             pass
 
         pars.insert(0, self.data.meta["T"])
-        pars.insert(1, 1e3/self.data.meta["invT"])
+        pars.insert(1, 1e3/self.data.meta["T"])
         pars.append(self.data.fit_limits[0])
         pars.append(self.data.fit_limits[1])
         pars = np.array([pars])
         np.savetxt(f, pars, fmt='%-12.3e', delimiter=" ")
         f.close()
 
-    def _saveFitFigure( self ):
+    def _saveFitFigure( self , mode="w"):
         fig = pyplot.figure(figsize=(3.54*1.4, 2.75*1.4))
 
         font = { 'family': 'sans serif',
@@ -348,26 +351,36 @@ class AppWindow(QMainWindow):
         pyplot.savefig(os.path.splitext(self.filepath)[0]+".pdf")
         fig.clear()
         del (fig)
-        self._saveFitFigureGrace()
+        self._saveFitFigureGrace(mode)
 
-    def _saveFitFigureGrace(self):
+    def _saveFitFigureGrace(self, mode="w"):
-        grace_plot = fileio.gracedriver.GracePlot()
+        fname = os.path.splitext(self.filepath)[0] + ".agr"
-        grace_plot.loglog(self.data.frequency, self.data.epsilon.imag, sym='o', ls="-", label="Data")
+        if mode == "w":
-        grace_plot.loglog(self.data.frequency_fit, self.data.epsilon_fit.imag, sym=None, ls="-", label="Fit")
+            self.grace_plot = fileio.gracedriver.GracePlot(fname)
+        elif mode == "a":
+            # FIXME: very ugly hack, should be global variable?
+            # Check if self.grace_plot attribute exists
+            try:
+                self.grace_plot is not None
+            except AttributeError:
+                self.grace_plot = fileio.gracedriver.GracePlot(fname)
+
+        self.grace_plot.loglog(self.data.frequency, self.data.epsilon.imag, sym='o', ls="-", label="Data")
+        self.grace_plot.loglog(self.data.frequency_fit, self.data.epsilon_fit.imag, sym=None, ls="-", label="Fit")
 
         # loop over functions and add data to plot
         for fcn in self.function_registry.get_registered_functions():
             f, eps = fcn.get_data()
             label = fcn.id_label
             color = hex2color(str(fcn.color.name()))
-            grace_plot.loglog(f, eps[1], ls=":", color=color, sym=None, label=label)
+            self.grace_plot.loglog(f, eps[1], ls=":", color=color, sym=None, label=label)
         # vertical lines (fit limits)
         #for i in (0, 1): pyplot.axvline(x=self.data.fit_limits[i], color='b', ls="-", lw=0.5)
-        grace_plot.legend(True)
+        self.grace_plot.legend(True)
-        grace_plot.xlabel("f / Hz")
+        self.grace_plot.xlabel("f / Hz")
-        grace_plot.ylabel("eps")
+        self.grace_plot.ylabel("eps")
-        print grace_plot.cmds
+        print self.grace_plot.cmds
-        grace_plot.save(os.path.splitext(self.filepath)[0] + ".agr")
+        self.grace_plot.save()
 
 
     def addContainer(self, selected_container, pos):

ui/QDSMain.py

@@ -2,8 +2,8 @@
 
 # Form implementation generated from reading ui file 'ui/QDSMain.ui'
 #
-# Created: Tue Sep 30 15:34:02 2014
+# Created: Fri Jan  9 21:17:26 2015
-#      by: PyQt4 UI code generator 4.11.2
+#      by: PyQt4 UI code generator 4.11.3
 #
 # WARNING! All changes made in this file will be lost!
 
@@ -125,6 +125,11 @@ class Ui_MainWindow(object):
         self.actionActionAbortFit.setObjectName(_fromUtf8("actionActionAbortFit"))
         self.actionShow_Derivative = QtGui.QAction(MainWindow)
         self.actionShow_Derivative.setObjectName(_fromUtf8("actionShow_Derivative"))
+        self.actionAppend_Fit = QtGui.QAction(MainWindow)
+        icon6 = QtGui.QIcon()
+        icon6.addPixmap(QtGui.QPixmap(_fromUtf8(":/icons/append_save_fit.png")), QtGui.QIcon.Normal, QtGui.QIcon.Off)
+        self.actionAppend_Fit.setIcon(icon6)
+        self.actionAppend_Fit.setObjectName(_fromUtf8("actionAppend_Fit"))
         self.menuExtras.addAction(self.actionShow_Derivative)
         self.menubar.addAction(self.menuExtras.menuAction())
         self.menubar.addAction(self.menuConfiguration.menuAction())
@@ -136,6 +141,8 @@ class Ui_MainWindow(object):
         self.toolBar.addAction(self.actionYAFF)
         self.toolBar.addSeparator()
         self.toolBar.addAction(self.actionSave_FitResult)
+        self.toolBar.addAction(self.actionAppend_Fit)
+        self.toolBar.addSeparator()
         self.toolBar.addAction(self.actionActionAbortFit)
 
         self.retranslateUi(MainWindow)
@@ -160,6 +167,8 @@ class Ui_MainWindow(object):
         self.actionActionAbortFit.setText(_translate("MainWindow", "Abort Fit", None))
         self.actionActionAbortFit.setShortcut(_translate("MainWindow", "Ctrl+C", None))
         self.actionShow_Derivative.setText(_translate("MainWindow", "Show Derivative", None))
+        self.actionAppend_Fit.setText(_translate("MainWindow", "Append Fit", None))
+        self.actionAppend_Fit.setToolTip(_translate("MainWindow", "Appends current plot to existing plot.", None))
 
 from pyqtgraph import PlotWidget
 import images_rc

ui/QDSMain.ui

@@ -109,6 +109,8 @@
    <addaction name="actionYAFF"/>
    <addaction name="separator"/>
    <addaction name="actionSave_FitResult"/>
+   <addaction name="actionAppend_Fit"/>
+   <addaction name="separator"/>
    <addaction name="actionActionAbortFit"/>
   </widget>
   <widget class="QDockWidget" name="dockWidget_3">
@@ -221,6 +223,18 @@
     <string>Show Derivative</string>
    </property>
   </action>
+  <action name="actionAppend_Fit">
+   <property name="icon">
+    <iconset resource="icons/images.qrc">
+     <normaloff>:/icons/append_save_fit.png</normaloff>:/icons/append_save_fit.png</iconset>
+   </property>
+   <property name="text">
+    <string>Append Fit</string>
+   </property>
+   <property name="toolTip">
+    <string>Appends current plot to existing plot.</string>
+   </property>
+  </action>
  </widget>
  <customwidgets>
   <customwidget>

ui/icons/images.qrc

@@ -1,6 +1,7 @@
 <RCC>
   <qresource prefix="icons">
     <file>add_cond.svg</file>
+    <file>append_save_fit.png</file>
     <file>add_yaff.png</file>
     <file>add_eps_infty.png</file>
     <file>qds_fit_abort.png</file>