* added "Show Derivative" to approximate imaginary eps without conductivity term

* closing matplotlib figure after saving

ConductivityGroupBox.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'ConductivityGroupBox.ui'
 #
-# Created: Wed Apr 16 14:28:54 2014
+# Created: Mon Jun  2 19:55:32 2014
 #      by: PyQt4 UI code generator 4.10.4
 #
 # WARNING! All changes made in this file will be lost!

ContainerWidgets.py

@@ -114,6 +114,7 @@ class BaseWidget(QGroupBox):
                 sd = "( --- )"
             self.errors[i].setStyleSheet(sd_style)
             self.errors[i].setText(sd)
+        #self.update()
 
     def replaceDoubleSpinBox(self, layout, widget):
         ndx = layout.indexOf(widget)
@@ -512,10 +513,14 @@ class YaffConfigWidget(QDialog):
         #self.replaceDoubleSpinBox(self.ui.gridLayout_tau, self.ui.doubleSpinBox_taumin)
         #self.replaceDoubleSpinBox(self.ui.gridLayout_tau, self.ui.doubleSpinBox_taumax)
 
+
         ndx = self.ui.gridLayout_time.indexOf(self.ui.doubleSpinBox_tmin)
         row, column, cols, rows =  self.ui.gridLayout_time.getItemPosition(ndx)
         self.ui.doubleSpinBox_tmin.setParent(None)
         self.ui.doubleSpinBox_tmin = LogFSpinBox(self)
+
+
+
         self.ui.gridLayout_time.addWidget(self.ui.doubleSpinBox_tmin, row,column)
 
         ndx = self.ui.gridLayout_time.indexOf(self.ui.doubleSpinBox_tmax)

ExtraDifferentialWidget.py

@@ -0,0 +1,30 @@
+# -*- encoding: utf-8 -*-
+__author__ = 'markusro'
+
+from PyQt4.QtGui import QColor
+import ExtraDifferential
+import pyqtgraph as pg
+import numpy as np
+
+class DifferentialWidget(ExtraDifferential.PlotWidget):
+    def __init__(self, parent=None):
+        super(DifferentialWidget, self).__init__(parent)
+        self.setLogMode(x=True, y=False)
+        self.showGrid(x=True, y=True)
+        self.addLegend()
+        self.disableAutoRange()
+        self.setLabel("bottom", "Frequency", units="Hz")
+
+        self.setLabel("left", u"Dielectric loss ε<sub>der</sub>''= ∂ε'/∂log10(v)" , units="Debye")
+        self.curve_imag = pg.PlotDataItem(x=[np.nan], y=[np.nan],pen=QColor(0,0,0,0), symbol='o',
+                                          symbolBrush=(255,127,0,127), name=u"Imaginary ε")
+        self.curve_real = pg.PlotDataItem(x=[np.nan], y=[np.nan],pen=QColor(0,0,0,0), symbol='s',
+                                          symbolBrush=(119,202,92,127), name=u"Real ε")
+        self.addItem(self.curve_imag)
+        self.addItem(self.curve_real)
+
+    def plot(self, x,real_y,imag_y):
+        self.enableAutoRange()
+        self.curve_real.setData(x, real_y)
+        self.curve_imag.setData(x, imag_y)
+

Makefile

@@ -7,5 +7,6 @@ all:
 	pyuic4 StaticGroupBox.ui -o StaticGroupBox.py
 	pyuic4 YAFFparameters.ui -o YAFFparameters.py
 	pyuic4 YAFFConfig.ui -o YAFFConfig.py
+	pyuic4 ExtraDifferential.ui -o ExtraDifferential.py
 stats:
 	wc -l QDS.py ContainerWidgets.py Container.py libyaff.py Mathlib.py Data.py

PeakGroupBox.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'PeakGroupBox.ui'
 #
-# Created: Wed Apr 16 14:28:54 2014
+# Created: Mon Jun  2 19:55:32 2014
 #      by: PyQt4 UI code generator 4.10.4
 #
 # WARNING! All changes made in this file will be lost!

PowerLawGroupBox.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'PowerLawGroupBox.ui'
 #
-# Created: Wed Apr 16 14:28:54 2014
+# Created: Mon Jun  2 19:55:33 2014
 #      by: PyQt4 UI code generator 4.10.4
 #
 # WARNING! All changes made in this file will be lost!

QDS.py

@@ -23,6 +23,7 @@ from Mathlib import FunctionRegister, FitRoutine
 from Data import Data
 
 import QDSMain
+import ExtraDifferentialWidget
 
 class AppWindow(QMainWindow):
 
@@ -145,6 +146,23 @@ class AppWindow(QMainWindow):
             fit_action.triggered.connect(self.signalMapper.map)
         self.signalMapper.mapped.connect(self.fitData_start)
 
+        self.ui.actionShow_Derivative.triggered.connect(self.show_derivative)
+
+
+
+    def show_derivative(self):
+        self.xtra_wdgt = ExtraDifferentialWidget.DifferentialWidget()
+        #self.xtra_wdgt.set
+        deriv_r = np.diff(np.log10(self.data.epsilon.real))
+        deriv_i = np.diff(np.log10(self.data.epsilon.imag))*0
+        deriv_i = -np.pi/2 * np.diff(np.log10(self.data.epsilon.real))/np.diff(np.log10(self.data.frequency))
+        self.xtra_wdgt.plot(self.data.frequency[:-1], deriv_r, deriv_i)
+        # self.xtra_wdgt.plot([0,1], [0,1], [0,1])
+        self.xtra_wdgt.setGeometry(self.ui.pgPlotWidget_real.geometry())
+        self.xtra_wdgt.show()
+        #self.xtra_wdgt.showCenterd()
+        self.xtra_wdgt.raise_()
+
 
     def updateCrosshair(self,evt):
 
@@ -215,7 +233,7 @@ class AppWindow(QMainWindow):
         Saving fit parameters to fitresults.log
         including temperature
         """
-        self.saveFitFigure()
+        self._saveFitFigure()
         if not os.path.exists("fitresults.log"):
             f = open("fitresults.log", "w")
         else:
@@ -263,7 +281,7 @@ class AppWindow(QMainWindow):
         np.savetxt(f, pars, fmt = '%-10.3e', delimiter=" ")
         f.close()
 
-    def saveFitFigure(self):
+    def _saveFitFigure(self):
         fig = pyplot.figure(figsize=(3.54*1.4, 2.75*1.4))
 
         font = {'family' : 'sans serif',
@@ -290,7 +308,13 @@ class AppWindow(QMainWindow):
         #pyplot.savefig(os.path.splitext(self.filepath)[0]+".png")
         pyplot.savefig(os.path.splitext(self.filepath)[0]+".pdf")
         fig.clear()
+        fig.close()
 
+    def _saveFitFigureGrace(self):
+        #agrtemplate = open('template.agr').read()
+        agrtemplate = """
+
+        """
 
     def addYaff(self, pos):
         _yaff = YAFF(plt_real=self.ui.pgPlotWidget_real,
@@ -363,11 +387,12 @@ class AppWindow(QMainWindow):
                      plt_real=self.ui.pgPlotWidget_real,
                      plt_imag=self.ui.pgPlotWidget_imag,
                      limits=self.data.fit_limits)
+        self.function_registry.register_function(_peak)
+
         _peak.changedData.connect(self.updatePlot)
         _peak.removeObj.connect(self.delParamterObject)
-        new_peak = [2*10**pos.y(), 1 / (2*np.pi*10**pos.x()), 1, 1]
+        new_peak_beta0 = [2*10**pos.y(), 1 / (2*np.pi*10**pos.x()), 1, 1]
-        _peak.setParameter(beta = new_peak)
+        _peak.setParameter(beta = new_peak_beta0)
-        self.function_registry.register_function(_peak)
         self.parameterWidget.add(_peak.widget)
         self.updatePlot()
 
@@ -435,27 +460,30 @@ class AppWindow(QMainWindow):
         self.openFile(path)
 
     def nextFile(self):
+        lim =  self.fit_boundary_imag.getRegion() # store limits
         if len(self._file_paths) > self._current_file_index+1: # wrap around
             self._current_file_index += 1
         else:
             self._current_file_index = 0
         path = unicode(self._file_paths[self._current_file_index])
         self.openFile(path)
+        self.fit_boundary_imag.setRegion(lim)
 
     def previousFile(self):
+        lim =  self.fit_boundary_imag.getRegion() # store limits
         if self._current_file_index == 0: # wrap around
             self._current_file_index = len(self._file_paths) - 1
         else:
             self._current_file_index -= 1
         path = unicode(self._file_paths[self._current_file_index])
         self.openFile(path)
+        self.fit_boundary_imag.setRegion(lim)
 
     def openFile(self,path):
         print "opening: %s"%path
         self.filepath=path
         # TODO analyze file (LF,MF, HF) and act accordingly
         data = np.loadtxt(path, skiprows=4)
-        self.setWindowTitle(os.path.basename(path))
         numpat = re.compile('\d+\.\d+')
         try:
             Temp = None
@@ -466,10 +494,15 @@ class AppWindow(QMainWindow):
                     Temp = float(re.search(numpat, line).group())
                     print "Temperature found in file:", Temp
                     break
+            search_temp_in_filename =  re.search('\d+\.\d+K', path)
+            if search_temp_in_filename:
+                Temp = float(search_temp_in_filename.group()[:-1])
             if Temp == None: raise ValueError
         except:
             Temp = QInputDialog.getDouble(self, "No temperature found in data set", "Temperature/K:", value=0.00)[0]
             # mask the data to values > 0 (loglog plot)
+        self.setWindowTitle("%s - %.2f K"%(os.path.basename(path), Temp))
+
         mask = (data[:, 1] > 0) & (data[:, 2] > 0) #& (data[:,2]>1e-3) & (data[:,0] > 1e-2)
         _freq = data[mask, 0]
         _die_stor = data[mask, 1]
@@ -501,6 +534,7 @@ class AppWindow(QMainWindow):
 
         p0,funcs = [],[]
         for fcn in self.function_registry.get_registered_functions():
+            print fcn
             p0.extend(fcn.getParameter())
             funcs.append(fcn)
         # calculate parametrized curve
@@ -509,13 +543,14 @@ class AppWindow(QMainWindow):
         # replot data and fit, TODO: replot only if measurement data changed
         self.data.data_curve_real.setData(self.data.frequency, self.data.epsilon.real)
         self.data.data_curve_imag.setData(self.data.frequency, self.data.epsilon.imag)
-
+        print "updatePlot: ",self.data.frequency_fit, self.data.epsilon_fit
         if len(funcs) > 0:
-            self.data.fitted_curve_real.setData(self.data.frequency_fit, self.data.epsilon_fit.real)
+            print "funcs > 0:",self.data.frequency_fit, self.data.epsilon_fit
-            self.data.fitted_curve_imag.setData(self.data.frequency_fit, self.data.epsilon_fit.imag)
+            self.data.fitted_curve_real.setData(x=self.data.frequency_fit, y=self.data.epsilon_fit.real)
+            self.data.fitted_curve_imag.setData(x=self.data.frequency_fit, y=self.data.epsilon_fit.imag)
         else:
-            self.data.fitted_curve_real.setData([np.nan],[np.nan])
+            self.data.fitted_curve_real.setData(x=np.array([np.nan]),y=np.array([np.nan]))
-            self.data.fitted_curve_imag.setData([np.nan],[np.nan])
+            self.data.fitted_curve_imag.setData(x=np.array([np.nan]),y=np.array([np.nan]))
 
 
     def updateIntermediatePlot(self, freq, intermediate_data):

QDSMain.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'QDSMain.ui'
 #
-# Created: Wed Apr 16 14:28:54 2014
+# Created: Mon Jun  2 19:55:32 2014
 #      by: PyQt4 UI code generator 4.10.4
 #
 # WARNING! All changes made in this file will be lost!
@@ -65,6 +65,8 @@ class Ui_MainWindow(object):
         self.menubar = QtGui.QMenuBar(MainWindow)
         self.menubar.setGeometry(QtCore.QRect(0, 0, 956, 22))
         self.menubar.setObjectName(_fromUtf8("menubar"))
+        self.menuExtras = QtGui.QMenu(self.menubar)
+        self.menuExtras.setObjectName(_fromUtf8("menuExtras"))
         MainWindow.setMenuBar(self.menubar)
         self.statusbar = QtGui.QStatusBar(MainWindow)
         self.statusbar.setObjectName(_fromUtf8("statusbar"))
@@ -119,6 +121,10 @@ class Ui_MainWindow(object):
         icon5.addPixmap(QtGui.QPixmap(_fromUtf8(":/icons/qds_fit_abort.png")), QtGui.QIcon.Normal, QtGui.QIcon.Off)
         self.actionActionAbortFit.setIcon(icon5)
         self.actionActionAbortFit.setObjectName(_fromUtf8("actionActionAbortFit"))
+        self.actionShow_Derivative = QtGui.QAction(MainWindow)
+        self.actionShow_Derivative.setObjectName(_fromUtf8("actionShow_Derivative"))
+        self.menuExtras.addAction(self.actionShow_Derivative)
+        self.menubar.addAction(self.menuExtras.menuAction())
         self.toolBar.addAction(self.actionAdd_Peak)
         self.toolBar.addAction(self.actionAdd_Cond)
         self.toolBar.addAction(self.actionAdd_PowerLaw)
@@ -134,6 +140,7 @@ class Ui_MainWindow(object):
 
     def retranslateUi(self, MainWindow):
         MainWindow.setWindowTitle(_translate("MainWindow", "MainWindow", None))
+        self.menuExtras.setTitle(_translate("MainWindow", "Extras", None))
         self.toolBar.setWindowTitle(_translate("MainWindow", "toolBar", None))
         self.actionAdd_Peak.setText(_translate("MainWindow", "Add Peak", None))
         self.actionAdd_Cond.setText(_translate("MainWindow", "Add Cond.", None))
@@ -148,6 +155,7 @@ class Ui_MainWindow(object):
         self.actionYAFF.setToolTip(_translate("MainWindow", "Fit with YAFF", None))
         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))
 
 from pyqtgraph import PlotWidget
 import images_rc

QDSMain.ui

@@ -67,6 +67,13 @@
      <height>22</height>
     </rect>
    </property>
+   <widget class="QMenu" name="menuExtras">
+    <property name="title">
+     <string>Extras</string>
+    </property>
+    <addaction name="actionShow_Derivative"/>
+   </widget>
+   <addaction name="menuExtras"/>
   </widget>
   <widget class="QStatusBar" name="statusbar"/>
   <widget class="QToolBar" name="toolBar">
@@ -203,6 +210,11 @@
     <string>Ctrl+C</string>
    </property>
   </action>
+  <action name="actionShow_Derivative">
+   <property name="text">
+    <string>Show Derivative</string>
+   </property>
+  </action>
  </widget>
  <customwidgets>
   <customwidget>

StaticGroupBox.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'StaticGroupBox.ui'
 #
-# Created: Wed Apr 16 14:28:54 2014
+# Created: Mon Jun  2 19:55:33 2014
 #      by: PyQt4 UI code generator 4.10.4
 #
 # WARNING! All changes made in this file will be lost!

YAFFConfig.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'YAFFConfig.ui'
 #
-# Created: Wed Apr 16 14:28:55 2014
+# Created: Mon Jun  2 19:55:33 2014
 #      by: PyQt4 UI code generator 4.10.4
 #
 # WARNING! All changes made in this file will be lost!

YAFFparameters.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'YAFFparameters.ui'
 #
-# Created: Wed Apr 16 14:28:55 2014
+# Created: Mon Jun  2 19:55:33 2014
 #      by: PyQt4 UI code generator 4.10.4
 #
 # WARNING! All changes made in this file will be lost!

data.py

@@ -11,8 +11,8 @@ class Data:
     def __init__(self, frequency=np.zeros(1), die_real=np.zeros(1), die_imag=np.zeros(1)):
         self.frequency = frequency
         self.epsilon = die_real + 1j * die_imag
-        self.frequency_fit = frequency
+        self.frequency_fit = frequency[:]
-        self.epsilon_fit = die_real*0 + 1j * die_imag*0
+        self.epsilon_fit = die_real[:]*0 + 1j * die_imag[:]*0
         myPen_imag = pg.mkPen(width=3, color=(255,255,127))
         myPen_real = pg.mkPen(width=3, color=(51,255,127))
 
@@ -20,8 +20,8 @@ class Data:
                                           symbolBrush=(255,127,0,127))
         self.data_curve_real = pg.PlotDataItem(x=[np.nan], y=[np.nan],pen=QColor(0,0,0,0), symbol='s',
                                           symbolBrush=(119,202,92,127))
-        self.fitted_curve_imag = pg.PlotDataItem(np.array([np.nan]), np.array([np.nan]), pen=myPen_imag)
+        self.fitted_curve_imag = pg.PlotDataItem(x=[np.nan], y=[np.nan], pen=myPen_imag)
-        self.fitted_curve_real = pg.PlotDataItem(np.array([np.nan]), np.array([np.nan]), pen=myPen_real)
+        self.fitted_curve_real = pg.PlotDataItem(x=[np.nan], y=[np.nan], pen=myPen_real)
         self.length = len(frequency)
         self.meta = dict()
         self.fit_limits = [frequency.min(), frequency.max(), die_imag.min(), die_imag.max()]
@@ -39,6 +39,7 @@ class Data:
 
     def set_data(self,f,e_real,e_imag):
         self.frequency = f
+        self.frequency_fit = f[:]
         self.epsilon = e_real + 1j*e_imag
         self.epsilon_fit  =  0*e_real + 1j*e_imag*0
         self.fit_limits = [f.min(), f.max(), e_imag.min(), e_imag.max()]

images_rc.py

@@ -2,7 +2,7 @@
 
 # Resource object code
 #
-# Created: Mi. Apr. 16 14:28:54 2014
+# Created: Mo. Juni 2 19:55:32 2014
 #      by: The Resource Compiler for PyQt (Qt v4.8.5)
 #
 # WARNING! All changes made in this file will be lost!