configuration dialog fpr YAFF (tau distrib., time points)

ConductivityGroupBox.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'ConductivityGroupBox.ui'
 #
-# Created: Mon Apr 14 14:36:45 2014
+# Created: Tue Apr 15 15:17:02 2014
 #      by: PyQt4 UI code generator 4.10.4
 #
 # WARNING! All changes made in this file will be lost!

Container.py

@@ -6,7 +6,7 @@ import numpy as np
 import pyqtgraph as pg
 import ContainerWidgets
 import libyaff
-from mathlib import Functions, id_to_color
+from Mathlib import Functions, id_to_color
 
 __author__ = 'markusro'
 
@@ -213,6 +213,7 @@ class YAFF(BaseObject):
         super(YAFF, self).__init__(plt_real=plt_real, plt_imag=plt_imag, limits=limits)
         self.widget = ContainerWidgets.YaffWidget()
         self.widget.on_model_changed.connect(self.change_model)
+        self.widget.configuration_changed.connect(self.change_configuration)
         self.color = QColor(32, 120, 29, int(255*0.82))
         self._libyaff = libyaff.Yaff(self.widget.getYaffType())
         self.id_label = self._libyaff.label
@@ -228,6 +229,11 @@ class YAFF(BaseObject):
     def param_number(self, num=None):
         self._param_number = self._libyaff.params
 
+    def change_configuration(self, t_list, tau_list):
+        self._libyaff.dist_tau = tau_list
+        self._libyaff.time_points = t_list
+        self.updateData()
+
     def change_model(self):
         self._libyaff = libyaff.Yaff(self.widget.getYaffType())
         self._selector_mask = self.widget.selector_mask

ContainerWidgets.py

@@ -7,7 +7,7 @@ import ConductivityGroupBox
 import PeakGroupBox
 import PowerLawGroupBox
 import StaticGroupBox
-import YAFFparameters
+import YAFFparameters, YAFFConfig
 
 
 from PyQt4.QtGui import *
@@ -115,6 +115,12 @@ class BaseWidget(QGroupBox):
             self.errors[i].setStyleSheet(sd_style)
             self.errors[i].setText(sd)
 
+    def replaceDoubleSpinBox(self, layout, widget):
+        ndx = layout.indexOf(widget)
+        row, column, cols, rows =  layout.getItemPosition(ndx)
+        widget.setParent(None)
+        widget = LogFSpinBox(self)
+        layout.addWidget(widget, row,column)
 
 
 
@@ -329,10 +335,10 @@ class ConductivityWidget(BaseWidget, QGroupBox):
 
 
 
-class PowerLawWidget(BaseWidget, QGroupBox):
+class PowerLawWidget(BaseWidget):
 
     def __init__(self, parent=None):
-        QGroupBox.__init__(self)
+        #QGroupBox.__init__(self)
         BaseWidget.__init__(self)
 
         super(PowerLawWidget, self).__init__(parent)
@@ -359,6 +365,7 @@ class PowerLawWidget(BaseWidget, QGroupBox):
 
 class YaffWidget(BaseWidget):
     on_model_changed = pyqtSignal()
+    configuration_changed = pyqtSignal(list,list)
 
     def __init__(self, parent=None):
         #QGroupBox.__init__(self)
@@ -381,6 +388,7 @@ class YaffWidget(BaseWidget):
         self.ui.gridLayout.addWidget(self.ui.doubleSpinBox_9, 12, 1)
 
         self.ui.removeButton.clicked.connect(self.remove)
+        self.ui.configButton.clicked.connect(self.configure)
 
         self.ui.comboBox.currentIndexChanged.connect(self.change_model)
         self._names = [
@@ -446,6 +454,17 @@ class YaffWidget(BaseWidget):
         for dsb in self.inputs:
             dsb.valueChanged.connect(self.changeValues)
         self.change_model(0)
+        self._t_list, self._tau_list = None, None
+
+    def configure(self):
+        qd = YaffConfigWidget(t_list = self._t_list, tau_list = self._tau_list)
+        qd.configuration_changed.connect(self._store_config)
+        qd.exec_()
+        #qd.show()
+    def _store_config(self,t_list,tau_list):
+        self._t_list = t_list
+        self._tau_list = tau_list
+        self.configuration_changed.emit(t_list,tau_list)
 
     def getYaffType(self):
         return self.ui.comboBox.currentIndex()
@@ -477,3 +496,74 @@ class YaffWidget(BaseWidget):
             if mask[ndx][i]==0: self.names.append(self._names[i])
         self.selector_mask = [not i for i in mask[ndx] ]
         self.on_model_changed.emit()
+
+class YaffConfigWidget(QDialog):
+    configuration_changed = pyqtSignal(list,list)
+
+    def __init__(self, parent=None, t_list=None, tau_list=None):
+        super(YaffConfigWidget,self).__init__(parent)
+
+        self.ui = YAFFConfig.Ui_Dialog()
+        self.ui.setupUi(self)
+
+        # not working; cannot set values
+        #self.replaceDoubleSpinBox(self.ui.gridLayout_time, self.ui.doubleSpinBox_tmin)
+        #self.replaceDoubleSpinBox(self.ui.gridLayout_time, self.ui.doubleSpinBox_tmax)
+        #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)
+        row, column, cols, rows =  self.ui.gridLayout_time.getItemPosition(ndx)
+        self.ui.doubleSpinBox_tmax.setParent(None)
+        self.ui.doubleSpinBox_tmax = LogFSpinBox(self)
+        self.ui.gridLayout_time.addWidget(self.ui.doubleSpinBox_tmax, row,column)
+
+        ndx = self.ui.gridLayout_tau.indexOf(self.ui.doubleSpinBox_taumin)
+        row, column, cols, rows =  self.ui.gridLayout_tau.getItemPosition(ndx)
+        self.ui.doubleSpinBox_taumin.setParent(None)
+        self.ui.doubleSpinBox_taumin = LogFSpinBox(self)
+        self.ui.gridLayout_tau.addWidget(self.ui.doubleSpinBox_taumin, row,column)
+
+        ndx = self.ui.gridLayout_tau.indexOf(self.ui.doubleSpinBox_taumax)
+        row, column, cols, rows =  self.ui.gridLayout_tau.getItemPosition(ndx)
+        self.ui.doubleSpinBox_taumax.setParent(None)
+        self.ui.doubleSpinBox_taumax = LogFSpinBox(self)
+        self.ui.gridLayout_tau.addWidget(self.ui.doubleSpinBox_taumax, row,column)
+
+        if t_list is not None:
+            self.ui.doubleSpinBox_tmin.setValue(t_list[0])
+            self.ui.doubleSpinBox_tmax.setValue(t_list[1])
+        else:
+            self.ui.doubleSpinBox_tmin.setValue(1e-10)
+            self.ui.doubleSpinBox_tmax.setValue(1e5)
+
+        if tau_list is not None:
+            self.ui.doubleSpinBox_taumin.setValue(tau_list[0])
+            self.ui.doubleSpinBox_taumax.setValue(tau_list[1])
+        else:
+            self.ui.doubleSpinBox_taumin.setValue(1e-10)
+            self.ui.doubleSpinBox_taumax.setValue(1e5)
+
+        values = [self.ui.doubleSpinBox_tmin,
+                  self.ui.doubleSpinBox_tmax,
+                  self.ui.spinBox_tn,
+                  self.ui.doubleSpinBox_taumin,
+                  self.ui.doubleSpinBox_taumax,
+                  self.ui.spinBox_taun]
+        for val in values: val.valueChanged.connect(self.changedConfiguration)
+
+    def changedConfiguration(self):
+        t_list = [self.ui.doubleSpinBox_tmin.value(),
+                  self.ui.doubleSpinBox_tmax.value(),
+                  self.ui.spinBox_tn.value()]
+        tau_list = [self.ui.doubleSpinBox_taumin.value(),
+                    self.ui.doubleSpinBox_taumax.value(),
+                    self.ui.spinBox_taun.value()]
+        self.configuration_changed.emit(t_list,tau_list)
+

Makefile

@@ -6,5 +6,6 @@ all:
 	pyuic4 PowerLawGroupBox.ui -o PowerLawGroupBox.py
 	pyuic4 StaticGroupBox.ui -o StaticGroupBox.py
 	pyuic4 YAFFparameters.ui -o YAFFparameters.py
+	pyuic4 YAFFConfig.ui -o YAFFConfig.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: Mon Apr 14 14:36:45 2014
+# Created: Tue Apr 15 15:17:02 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: Mon Apr 14 14:36:45 2014
+# Created: Tue Apr 15 15:17:02 2014
 #      by: PyQt4 UI code generator 4.10.4
 #
 # WARNING! All changes made in this file will be lost!

QDS.py

@@ -1,33 +1,28 @@
 #!/usr/bin/env python
 # -*- encoding: utf-8 -*-
-import os
+_author_ = "Markus Rosenstihl"
-import sys
+
-import re
+import os,sys,re,signal
-import signal
 
-from PyQt4.QtCore import *
-from PyQt4.QtGui import *
 import matplotlib
-from Container import Conductivity, PowerComplex, Static, Peak, YAFF
-
-from mathlib import FunctionRegister, FitRoutine
-
 matplotlib.use('agg')
-
-
 from matplotlib import pyplot
 from matplotlib.colors import hex2color
 #matplotlib.rc_file("default.mplrc")
 
+
+from PyQt4.QtCore import *
+from PyQt4.QtGui import *
+
 import numpy as np
-
-import QDSMain
-
-from data import Data
 import pyqtgraph as pg
 
+from Container import Conductivity, PowerComplex, Static, Peak, YAFF
 from ContainerWidgets import ParameterWidget
+from Mathlib import FunctionRegister, FitRoutine
+from Data import Data
 
+import QDSMain
 
 class AppWindow(QMainWindow):
 
@@ -141,6 +136,8 @@ class AppWindow(QMainWindow):
         fit_annealAction = QAction("&Simulated Annealing", self)
         fitMenu.addAction(fit_annealAction)
 
+        self.ui.actionActionAbortFit.triggered.connect(self.abortFit)
+
         self.signalMapper = QSignalMapper(self)
         for i, fit_action in enumerate([fit_lmAction, fit_lbfgsbAction, fit_annealAction
         ]):
@@ -208,6 +205,9 @@ class AppWindow(QMainWindow):
                 msgBox.exec_()
 
 
+    def abortFit(self):
+        self._fit_thread.quit()
+
     def saveFitResult(self):
         """
         Saving fit parameters to fitresults.log
@@ -505,7 +505,8 @@ class AppWindow(QMainWindow):
         self.fit_boundary_imag.setRegion(self.fit_boundary_real.getRegion())
 
 def sigint_handler(*args):
-    """Handler for the SIGINT signal (CTRL + C).
+    """
+    Handler for the SIGINT signal (CTRL + C).
     """
     sys.stderr.write('\r')
     if QMessageBox.question(None, '', "Are you sure you want to quit?",
@@ -513,6 +514,7 @@ def sigint_handler(*args):
                             QMessageBox.Yes) == QMessageBox.Yes:
         QApplication.quit()
 
+
 if __name__ == '__main__':
     signal.signal(signal.SIGINT, sigint_handler)
     files = sys.argv[1:]

QDSMain.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'QDSMain.ui'
 #
-# Created: Mon Apr 14 14:36:45 2014
+# Created: Tue Apr 15 15:17:02 2014
 #      by: PyQt4 UI code generator 4.10.4
 #
 # WARNING! All changes made in this file will be lost!
@@ -70,6 +70,7 @@ class Ui_MainWindow(object):
         self.statusbar.setObjectName(_fromUtf8("statusbar"))
         MainWindow.setStatusBar(self.statusbar)
         self.toolBar = QtGui.QToolBar(MainWindow)
+        self.toolBar.setIconSize(QtCore.QSize(48, 48))
         self.toolBar.setToolButtonStyle(QtCore.Qt.ToolButtonTextUnderIcon)
         self.toolBar.setObjectName(_fromUtf8("toolBar"))
         MainWindow.addToolBar(QtCore.Qt.TopToolBarArea, self.toolBar)
@@ -113,6 +114,11 @@ class Ui_MainWindow(object):
         icon4.addPixmap(QtGui.QPixmap(_fromUtf8(":/icons/add_yaff.png")), QtGui.QIcon.Normal, QtGui.QIcon.Off)
         self.actionYAFF.setIcon(icon4)
         self.actionYAFF.setObjectName(_fromUtf8("actionYAFF"))
+        self.actionActionAbortFit = QtGui.QAction(MainWindow)
+        icon5 = QtGui.QIcon()
+        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.toolBar.addAction(self.actionAdd_Peak)
         self.toolBar.addAction(self.actionAdd_Cond)
         self.toolBar.addAction(self.actionAdd_PowerLaw)
@@ -121,6 +127,7 @@ class Ui_MainWindow(object):
         self.toolBar.addAction(self.actionYAFF)
         self.toolBar.addSeparator()
         self.toolBar.addAction(self.actionSave_FitResult)
+        self.toolBar.addAction(self.actionActionAbortFit)
 
         self.retranslateUi(MainWindow)
         QtCore.QMetaObject.connectSlotsByName(MainWindow)
@@ -139,6 +146,8 @@ class Ui_MainWindow(object):
         self.actionAdd_Eps_Infty.setToolTip(_translate("MainWindow", "Add eps_infty", None))
         self.actionYAFF.setText(_translate("MainWindow", "YAFF", None))
         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))
 
 from pyqtgraph import PlotWidget
 import images_rc

QDSMain.ui

@@ -73,6 +73,12 @@
    <property name="windowTitle">
     <string>toolBar</string>
    </property>
+   <property name="iconSize">
+    <size>
+     <width>48</width>
+     <height>48</height>
+    </size>
+   </property>
    <property name="toolButtonStyle">
     <enum>Qt::ToolButtonTextUnderIcon</enum>
    </property>
@@ -90,6 +96,7 @@
    <addaction name="actionYAFF"/>
    <addaction name="separator"/>
    <addaction name="actionSave_FitResult"/>
+   <addaction name="actionActionAbortFit"/>
   </widget>
   <widget class="QDockWidget" name="dockWidget_3">
    <property name="features">
@@ -184,6 +191,18 @@
     <string>Fit with YAFF</string>
    </property>
   </action>
+  <action name="actionActionAbortFit">
+   <property name="icon">
+    <iconset resource="icons/images.qrc">
+     <normaloff>:/icons/qds_fit_abort.png</normaloff>:/icons/qds_fit_abort.png</iconset>
+   </property>
+   <property name="text">
+    <string>Abort Fit</string>
+   </property>
+   <property name="shortcut">
+    <string>Ctrl+C</string>
+   </property>
+  </action>
  </widget>
  <customwidgets>
   <customwidget>

StaticGroupBox.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'StaticGroupBox.ui'
 #
-# Created: Mon Apr 14 14:36:45 2014
+# Created: Tue Apr 15 15:17:03 2014
 #      by: PyQt4 UI code generator 4.10.4
 #
 # WARNING! All changes made in this file will be lost!

YAFFConfig.py

@@ -0,0 +1,107 @@
+# -*- coding: utf-8 -*-
+
+# Form implementation generated from reading ui file 'YAFFConfig.ui'
+#
+# Created: Tue Apr 15 15:17:03 2014
+#      by: PyQt4 UI code generator 4.10.4
+#
+# WARNING! All changes made in this file will be lost!
+
+from PyQt4 import QtCore, QtGui
+
+try:
+    _fromUtf8 = QtCore.QString.fromUtf8
+except AttributeError:
+    def _fromUtf8(s):
+        return s
+
+try:
+    _encoding = QtGui.QApplication.UnicodeUTF8
+    def _translate(context, text, disambig):
+        return QtGui.QApplication.translate(context, text, disambig, _encoding)
+except AttributeError:
+    def _translate(context, text, disambig):
+        return QtGui.QApplication.translate(context, text, disambig)
+
+class Ui_Dialog(object):
+    def setupUi(self, Dialog):
+        Dialog.setObjectName(_fromUtf8("Dialog"))
+        Dialog.resize(250, 229)
+        self.gridLayout_3 = QtGui.QGridLayout(Dialog)
+        self.gridLayout_3.setObjectName(_fromUtf8("gridLayout_3"))
+        self.groupBox_time = QtGui.QGroupBox(Dialog)
+        self.groupBox_time.setObjectName(_fromUtf8("groupBox_time"))
+        self.gridLayout_time = QtGui.QGridLayout(self.groupBox_time)
+        self.gridLayout_time.setObjectName(_fromUtf8("gridLayout_time"))
+        self.label = QtGui.QLabel(self.groupBox_time)
+        self.label.setObjectName(_fromUtf8("label"))
+        self.gridLayout_time.addWidget(self.label, 0, 0, 1, 1)
+        self.label_2 = QtGui.QLabel(self.groupBox_time)
+        self.label_2.setObjectName(_fromUtf8("label_2"))
+        self.gridLayout_time.addWidget(self.label_2, 0, 1, 1, 1)
+        self.label_3 = QtGui.QLabel(self.groupBox_time)
+        self.label_3.setObjectName(_fromUtf8("label_3"))
+        self.gridLayout_time.addWidget(self.label_3, 0, 2, 1, 1)
+        self.doubleSpinBox_tmin = QtGui.QDoubleSpinBox(self.groupBox_time)
+        self.doubleSpinBox_tmin.setObjectName(_fromUtf8("doubleSpinBox_tmin"))
+        self.gridLayout_time.addWidget(self.doubleSpinBox_tmin, 1, 0, 1, 1)
+        self.doubleSpinBox_tmax = QtGui.QDoubleSpinBox(self.groupBox_time)
+        self.doubleSpinBox_tmax.setObjectName(_fromUtf8("doubleSpinBox_tmax"))
+        self.gridLayout_time.addWidget(self.doubleSpinBox_tmax, 1, 1, 1, 1)
+        self.spinBox_tn = QtGui.QSpinBox(self.groupBox_time)
+        self.spinBox_tn.setMinimum(256)
+        self.spinBox_tn.setMaximum(8192)
+        self.spinBox_tn.setSingleStep(256)
+        self.spinBox_tn.setProperty("value", 512)
+        self.spinBox_tn.setObjectName(_fromUtf8("spinBox_tn"))
+        self.gridLayout_time.addWidget(self.spinBox_tn, 1, 2, 1, 1)
+        self.gridLayout_3.addWidget(self.groupBox_time, 0, 0, 1, 1)
+        self.groupBox_tau = QtGui.QGroupBox(Dialog)
+        self.groupBox_tau.setObjectName(_fromUtf8("groupBox_tau"))
+        self.gridLayout_tau = QtGui.QGridLayout(self.groupBox_tau)
+        self.gridLayout_tau.setObjectName(_fromUtf8("gridLayout_tau"))
+        self.label_7 = QtGui.QLabel(self.groupBox_tau)
+        self.label_7.setObjectName(_fromUtf8("label_7"))
+        self.gridLayout_tau.addWidget(self.label_7, 0, 0, 1, 1)
+        self.label_8 = QtGui.QLabel(self.groupBox_tau)
+        self.label_8.setObjectName(_fromUtf8("label_8"))
+        self.gridLayout_tau.addWidget(self.label_8, 0, 1, 1, 1)
+        self.label_9 = QtGui.QLabel(self.groupBox_tau)
+        self.label_9.setObjectName(_fromUtf8("label_9"))
+        self.gridLayout_tau.addWidget(self.label_9, 0, 2, 1, 1)
+        self.doubleSpinBox_taumin = QtGui.QDoubleSpinBox(self.groupBox_tau)
+        self.doubleSpinBox_taumin.setObjectName(_fromUtf8("doubleSpinBox_taumin"))
+        self.gridLayout_tau.addWidget(self.doubleSpinBox_taumin, 1, 0, 1, 1)
+        self.doubleSpinBox_taumax = QtGui.QDoubleSpinBox(self.groupBox_tau)
+        self.doubleSpinBox_taumax.setObjectName(_fromUtf8("doubleSpinBox_taumax"))
+        self.gridLayout_tau.addWidget(self.doubleSpinBox_taumax, 1, 1, 1, 1)
+        self.spinBox_taun = QtGui.QSpinBox(self.groupBox_tau)
+        self.spinBox_taun.setMinimum(256)
+        self.spinBox_taun.setMaximum(8192)
+        self.spinBox_taun.setSingleStep(256)
+        self.spinBox_taun.setProperty("value", 512)
+        self.spinBox_taun.setObjectName(_fromUtf8("spinBox_taun"))
+        self.gridLayout_tau.addWidget(self.spinBox_taun, 1, 2, 1, 1)
+        self.gridLayout_3.addWidget(self.groupBox_tau, 1, 0, 1, 1)
+        self.buttonBox = QtGui.QDialogButtonBox(Dialog)
+        self.buttonBox.setOrientation(QtCore.Qt.Horizontal)
+        self.buttonBox.setStandardButtons(QtGui.QDialogButtonBox.Cancel|QtGui.QDialogButtonBox.Ok)
+        self.buttonBox.setObjectName(_fromUtf8("buttonBox"))
+        self.gridLayout_3.addWidget(self.buttonBox, 2, 0, 1, 1)
+
+        self.retranslateUi(Dialog)
+        QtCore.QObject.connect(self.buttonBox, QtCore.SIGNAL(_fromUtf8("accepted()")), Dialog.accept)
+        QtCore.QObject.connect(self.buttonBox, QtCore.SIGNAL(_fromUtf8("rejected()")), Dialog.reject)
+        QtCore.QMetaObject.connectSlotsByName(Dialog)
+
+    def retranslateUi(self, Dialog):
+        Dialog.setWindowTitle(_translate("Dialog", "YAFF Configuration", None))
+        self.groupBox_time.setTitle(_translate("Dialog", "Time values (log10[t])", None))
+        self.label.setText(_translate("Dialog", "<html><head/><body><p>t<span style=\" vertical-align:sub;\">min</span></p></body></html>", None))
+        self.label_2.setText(_translate("Dialog", "<html><head/><body><p>t<span style=\" vertical-align:sub;\">max</span></p></body></html>", None))
+        self.label_3.setText(_translate("Dialog", "N", None))
+        self.groupBox_tau.setTitle(_translate("Dialog", "τ-Distribution (log10[τ])", None))
+        self.label_7.setText(_translate("Dialog", "<html><head/><body><p>t<span style=\" vertical-align:sub;\">min</span></p></body></html>", None))
+        self.label_8.setText(_translate("Dialog", "<html><head/><body><p>t<span style=\" vertical-align:sub;\">max</span></p></body></html>", None))
+        self.label_9.setText(_translate("Dialog", "N", None))
+

YAFFConfig.ui

@@ -0,0 +1,168 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Dialog</class>
+ <widget class="QDialog" name="Dialog">
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>250</width>
+    <height>229</height>
+   </rect>
+  </property>
+  <property name="windowTitle">
+   <string>YAFF Configuration</string>
+  </property>
+  <layout class="QGridLayout" name="gridLayout_3">
+   <item row="0" column="0">
+    <widget class="QGroupBox" name="groupBox_time">
+     <property name="title">
+      <string>Time values (log10[t])</string>
+     </property>
+     <layout class="QGridLayout" name="gridLayout_time">
+      <item row="0" column="0">
+       <widget class="QLabel" name="label">
+        <property name="text">
+         <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;t&lt;span style=&quot; vertical-align:sub;&quot;&gt;min&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="1">
+       <widget class="QLabel" name="label_2">
+        <property name="text">
+         <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;t&lt;span style=&quot; vertical-align:sub;&quot;&gt;max&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="2">
+       <widget class="QLabel" name="label_3">
+        <property name="text">
+         <string>N</string>
+        </property>
+       </widget>
+      </item>
+      <item row="1" column="0">
+       <widget class="QDoubleSpinBox" name="doubleSpinBox_tmin"/>
+      </item>
+      <item row="1" column="1">
+       <widget class="QDoubleSpinBox" name="doubleSpinBox_tmax"/>
+      </item>
+      <item row="1" column="2">
+       <widget class="QSpinBox" name="spinBox_tn">
+        <property name="minimum">
+         <number>256</number>
+        </property>
+        <property name="maximum">
+         <number>8192</number>
+        </property>
+        <property name="singleStep">
+         <number>256</number>
+        </property>
+        <property name="value">
+         <number>512</number>
+        </property>
+       </widget>
+      </item>
+     </layout>
+    </widget>
+   </item>
+   <item row="1" column="0">
+    <widget class="QGroupBox" name="groupBox_tau">
+     <property name="title">
+      <string>τ-Distribution (log10[τ])</string>
+     </property>
+     <layout class="QGridLayout" name="gridLayout_tau">
+      <item row="0" column="0">
+       <widget class="QLabel" name="label_7">
+        <property name="text">
+         <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;t&lt;span style=&quot; vertical-align:sub;&quot;&gt;min&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="1">
+       <widget class="QLabel" name="label_8">
+        <property name="text">
+         <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;t&lt;span style=&quot; vertical-align:sub;&quot;&gt;max&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="2">
+       <widget class="QLabel" name="label_9">
+        <property name="text">
+         <string>N</string>
+        </property>
+       </widget>
+      </item>
+      <item row="1" column="0">
+       <widget class="QDoubleSpinBox" name="doubleSpinBox_taumin"/>
+      </item>
+      <item row="1" column="1">
+       <widget class="QDoubleSpinBox" name="doubleSpinBox_taumax"/>
+      </item>
+      <item row="1" column="2">
+       <widget class="QSpinBox" name="spinBox_taun">
+        <property name="minimum">
+         <number>256</number>
+        </property>
+        <property name="maximum">
+         <number>8192</number>
+        </property>
+        <property name="singleStep">
+         <number>256</number>
+        </property>
+        <property name="value">
+         <number>512</number>
+        </property>
+       </widget>
+      </item>
+     </layout>
+    </widget>
+   </item>
+   <item row="2" column="0">
+    <widget class="QDialogButtonBox" name="buttonBox">
+     <property name="orientation">
+      <enum>Qt::Horizontal</enum>
+     </property>
+     <property name="standardButtons">
+      <set>QDialogButtonBox::Cancel|QDialogButtonBox::Ok</set>
+     </property>
+    </widget>
+   </item>
+  </layout>
+ </widget>
+ <resources/>
+ <connections>
+  <connection>
+   <sender>buttonBox</sender>
+   <signal>accepted()</signal>
+   <receiver>Dialog</receiver>
+   <slot>accept()</slot>
+   <hints>
+    <hint type="sourcelabel">
+     <x>248</x>
+     <y>254</y>
+    </hint>
+    <hint type="destinationlabel">
+     <x>157</x>
+     <y>274</y>
+    </hint>
+   </hints>
+  </connection>
+  <connection>
+   <sender>buttonBox</sender>
+   <signal>rejected()</signal>
+   <receiver>Dialog</receiver>
+   <slot>reject()</slot>
+   <hints>
+    <hint type="sourcelabel">
+     <x>316</x>
+     <y>260</y>
+    </hint>
+    <hint type="destinationlabel">
+     <x>286</x>
+     <y>274</y>
+    </hint>
+   </hints>
+  </connection>
+ </connections>
+</ui>

YAFFparameters.py

@@ -2,7 +2,7 @@
 
 # Form implementation generated from reading ui file 'YAFFparameters.ui'
 #
-# Created: Mon Apr 14 14:36:45 2014
+# Created: Tue Apr 15 15:17:03 2014
 #      by: PyQt4 UI code generator 4.10.4
 #
 # WARNING! All changes made in this file will be lost!
@@ -26,7 +26,7 @@ except AttributeError:
 class Ui_Form(object):
     def setupUi(self, Form):
         Form.setObjectName(_fromUtf8("Form"))
-        Form.resize(263, 320)
+        Form.resize(271, 322)
         self.gridLayout = QtGui.QGridLayout(Form)
         self.gridLayout.setMargin(0)
         self.gridLayout.setSpacing(1)
@@ -259,6 +259,9 @@ class Ui_Form(object):
         self.removeButton = QtGui.QPushButton(Form)
         self.removeButton.setObjectName(_fromUtf8("removeButton"))
         self.gridLayout.addWidget(self.removeButton, 0, 2, 1, 1)
+        self.configButton = QtGui.QPushButton(Form)
+        self.configButton.setObjectName(_fromUtf8("configButton"))
+        self.gridLayout.addWidget(self.configButton, 1, 2, 1, 1)
 
         self.retranslateUi(Form)
         QtCore.QMetaObject.connectSlotsByName(Form)
@@ -293,4 +296,5 @@ class Ui_Form(object):
         self.comboBox.setItemText(2, _translate("Form", "GG + b", None))
         self.comboBox.setItemText(3, _translate("Form", "GGe + b", None))
         self.removeButton.setText(_translate("Form", "Remove", None))
+        self.configButton.setText(_translate("Form", "Configure", None))
 

YAFFparameters.ui

@@ -6,8 +6,8 @@
    <rect>
     <x>0</x>
     <y>0</y>
-    <width>263</width>
+    <width>271</width>
-    <height>320</height>
+    <height>322</height>
    </rect>
   </property>
   <property name="windowTitle">
@@ -460,6 +460,13 @@
      </property>
     </widget>
    </item>
+   <item row="1" column="2">
+    <widget class="QPushButton" name="configButton">
+     <property name="text">
+      <string>Configure</string>
+     </property>
+    </widget>
+   </item>
   </layout>
  </widget>
  <resources/>

data.py

@@ -3,7 +3,8 @@ from PyQt4.QtGui import QColor
 import numpy as np
 import pyqtgraph as pg
 
-from mathlib import FitFunctionCreator
+from Mathlib import FitFunctionCreator
+
 
 
 class Data:

icons/images.qrc

@@ -3,6 +3,7 @@
     <file>add_cond.svg</file>
     <file>add_yaff.png</file>
     <file>add_eps_infty.png</file>
+    <file>qds_fit_abort.png</file>
     <file>add_peak.svg</file>
     <file>fit_limits.png</file>
     <file>save_fit.png</file>

libyaff.py

@@ -38,8 +38,10 @@ class Yaff(QObject):
     step_signal = pyqtSignal(list)
     def __init__(self, dist_type=0):
         super(Yaff,self).__init__()
-        self.dist_x = logspace(-10,5,512)
+        self._dist_tau = logspace(-12,6,512)
-        self.dist_y = zeros(self.dist_x.size)
+        self.dist_y = zeros(self.dist_tau.size)
+        self._time_points = logspace(-10,5,512*2)
+
         yaff = [
             (self.yaff_gg, "GG"),
             (self.yaff_gge, "GGe"),
@@ -48,6 +50,29 @@ class Yaff(QObject):
             ]
         self.loss, self.label = yaff[dist_type]
         self.params = 10
+
+
+    @property
+    def time_points(self):
+        return self._time_points
+
+    @time_points.setter
+    def time_points(self, t_list):
+        tmin, tmax, num = t_list
+        tmi,tma = tmin, tmax
+        self._time_points = logspace(log10(tmi), log10(tma), num)
+
+    @property
+    def dist_tau(self):
+        return self._dist_tau
+
+    @dist_tau.setter
+    def dist_tau(self, tau_list):
+        tmin, tmax, num = tau_list
+        tmi,tma = tmin, tmax
+        self._dist_tau = logspace(log10(tmi), log10(tma), num)
+
+
     def gg(self, p, tau):
         tau0, a, b = p
         """
@@ -136,21 +161,21 @@ class Yaff(QObject):
         """
         delta_eps, tau1, a1, b1, lambd, tau2, a2, b2, s, g = p
 
-        dist_ggb = self.ggb(p=[tau2,a2,b2], tau=self.dist_x)
+        dist_ggb = self.ggb(p=[tau2,a2,b2], tau=self.dist_tau)
-        dist_gg  = self.gg_hw (p=[tau1,a1,b1,s,g], tau=self.dist_x)
+        dist_gg  = self.gg_hw (p=[tau1,a1,b1,s,g], tau=self.dist_tau)
 
-        ts = logspace(-10,5,512)
+        #ts = logspace(-10,5,512*2)
 
         self.dist_y = dist_ggb
-        phi_beta  = self.dist_to_relax(ts, self.dist_x, self.dist_y).real
+        phi_beta  = self.dist_to_relax(self.time_points, self.dist_tau, self.dist_y).real
 
         self.dist_y = dist_gg
-        phi_alpha = self.dist_to_relax(ts, self.dist_x, self.dist_y).real
+        phi_alpha = self.dist_to_relax(self.time_points, self.dist_tau, self.dist_y).real
 
         # William-Watts-Ansatz
         phi_tot  = (1-lambd) + lambd*phi_beta
         phi_tot *= phi_alpha
-        epp = delta_eps*2*pi*x*filon(2*pi*x, ts, phi_tot)
+        epp = delta_eps*2*pi*x*filon(2*pi*x, self.time_points, phi_tot)
 
         self.step_signal.emit(list(p))
         return epp
@@ -161,21 +186,21 @@ class Yaff(QObject):
         """
         delta_eps, tau1, a1, b1, lambd, tau2, a2, b2, s, g = p
 
-        dist_ggb = self.ggb(p=[tau2,a2,b2], tau=self.dist_x)
+        dist_ggb = self.ggb(p=[tau2,a2,b2], tau=self.dist_tau)
-        dist_gg  = self.gg (p=[tau1,a1,b1], tau=self.dist_x)
+        dist_gg  = self.gg (p=[tau1,a1,b1], tau=self.dist_tau)
 
-        ts = logspace(-10,5,512)
+        #ts = logspace(-10,5,512*2)
 
         self.dist_y = dist_ggb
-        phi_beta  = self.dist_to_relax(ts, self.dist_x, self.dist_y).real
+        phi_beta  = self.dist_to_relax(self.time_points, self.dist_tau, self.dist_y).real
 
         self.dist_y = dist_gg
-        phi_alpha = self.dist_to_relax(ts, self.dist_x, self.dist_y).real
+        phi_alpha = self.dist_to_relax(self.time_points, self.dist_tau, self.dist_y).real
 
         # William-Watts-Ansatz
         phi_tot  = (1-lambd) + lambd*phi_beta
         phi_tot *= phi_alpha
-        epp = delta_eps*2*pi*x*filon(2*pi*x, ts, phi_tot)
+        epp = delta_eps*2*pi*x*filon(2*pi*x, self.time_points, phi_tot)
 
         self.step_signal.emit(list(p))
         return epp
@@ -185,11 +210,11 @@ class Yaff(QObject):
         GG
         """
         delta_eps, tau1, a1, b1, lambd, tau2, a2, b2, s, g = p
-        ts = logspace(-10,5,512)
+        #ts = logspace(-10,5,512*2)
-        dist_gg   =  self.gg(p=[tau1,a1,b1], tau=self.dist_x)
+        dist_gg   =  self.gg(p=[tau1,a1,b1], tau=self.dist_tau)
         self.dist_y = dist_gg
-        phi_alpha = self.dist_to_relax(ts, self.dist_x, self.dist_y).real
+        phi_alpha = self.dist_to_relax(self.time_points, self.dist_tau, self.dist_y).real
-        epp = delta_eps*2*pi*x*filon(2*pi*x, ts, phi_alpha )
+        epp = delta_eps*2*pi*x*filon(2*pi*x, self.time_points, phi_alpha )
         self.step_signal.emit(list(p))
         return epp
 
@@ -198,11 +223,11 @@ class Yaff(QObject):
         GG
         """
         delta_eps, tau1, a1, b1, lambd, tau2, a2, b2, s, g = p
-        ts = logspace(-10,5,512)
+        #ts = logspace(-10,5,512*2)
-        dist_gg   =  self.gg_hw(p=[tau1, a1, b1, s, g], tau=self.dist_x)
+        dist_gg   =  self.gg_hw(p=[tau1, a1, b1, s, g], tau=self.dist_tau)
         self.dist_y = dist_gg
-        phi_alpha = self.dist_to_relax(ts, self.dist_x, self.dist_y).real
+        phi_alpha = self.dist_to_relax(self.time_points, self.dist_tau, self.dist_y).real
-        epp = delta_eps*2*pi*x*filon(2*pi*x, ts, phi_alpha )
+        epp = delta_eps*2*pi*x*filon(2*pi*x, self.time_points, phi_alpha )
         self.step_signal.emit(list(p))
         return epp