bugfixes-01012024 #197
@ -1,6 +1,6 @@
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# -*- coding: utf-8 -*-
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# Form implementation generated from reading ui file 'src/resources/_ui/fitresult.ui'
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# Form implementation generated from reading ui file 'resources/_ui/fitresult.ui'
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#
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# Created by: PyQt5 UI code generator 5.15.10
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#
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@ -27,25 +27,48 @@ class Ui_Dialog(object):
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self.stackPage1 = QtWidgets.QWidget()
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self.stackPage1.setObjectName("stackPage1")
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self.gridLayout_3 = QtWidgets.QGridLayout(self.stackPage1)
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self.gridLayout_3.setContentsMargins(3, 3, 3, 3)
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self.gridLayout_3.setContentsMargins(6, 3, 6, 3)
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self.gridLayout_3.setSpacing(3)
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self.gridLayout_3.setObjectName("gridLayout_3")
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spacerItem = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
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self.gridLayout_3.addItem(spacerItem, 2, 3, 1, 1)
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self.autoscale_box = QtWidgets.QToolButton(self.stackPage1)
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self.autoscale_box.setObjectName("autoscale_box")
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self.gridLayout_3.addWidget(self.autoscale_box, 2, 0, 1, 1)
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self.logy_box = QtWidgets.QCheckBox(self.stackPage1)
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self.logy_box.setLayoutDirection(QtCore.Qt.LeftToRight)
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self.logy_box.setObjectName("logy_box")
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self.gridLayout_3.addWidget(self.logy_box, 2, 3, 1, 1)
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self.graphicsView = GraphicsLayoutWidget(self.stackPage1)
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self.graphicsView.setObjectName("graphicsView")
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self.gridLayout_3.addWidget(self.graphicsView, 0, 0, 1, 4)
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self.logx_box = QtWidgets.QCheckBox(self.stackPage1)
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self.gridLayout_3.addWidget(self.autoscale_box, 2, 4, 1, 1)
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spacerItem1 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
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self.gridLayout_3.addItem(spacerItem1, 2, 1, 1, 1)
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self.verticalGroupBox_2 = QtWidgets.QGroupBox(self.stackPage1)
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self.verticalGroupBox_2.setObjectName("verticalGroupBox_2")
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self.verticalLayout_4 = QtWidgets.QVBoxLayout(self.verticalGroupBox_2)
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self.verticalLayout_4.setObjectName("verticalLayout_4")
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self.logx_box = QtWidgets.QCheckBox(self.verticalGroupBox_2)
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self.logx_box.setLayoutDirection(QtCore.Qt.LeftToRight)
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self.logx_box.setObjectName("logx_box")
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self.gridLayout_3.addWidget(self.logx_box, 2, 2, 1, 1)
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spacerItem = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
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self.gridLayout_3.addItem(spacerItem, 2, 1, 1, 1)
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self.verticalLayout_4.addWidget(self.logx_box)
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self.logy_box = QtWidgets.QCheckBox(self.verticalGroupBox_2)
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self.logy_box.setLayoutDirection(QtCore.Qt.LeftToRight)
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self.logy_box.setObjectName("logy_box")
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self.verticalLayout_4.addWidget(self.logy_box)
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self.gridLayout_3.addWidget(self.verticalGroupBox_2, 2, 2, 1, 1)
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self.verticalGroupBox = QtWidgets.QGroupBox(self.stackPage1)
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self.verticalGroupBox.setObjectName("verticalGroupBox")
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self.verticalLayout = QtWidgets.QVBoxLayout(self.verticalGroupBox)
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self.verticalLayout.setObjectName("verticalLayout")
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self.rel_dev_button = QtWidgets.QRadioButton(self.verticalGroupBox)
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self.rel_dev_button.setObjectName("rel_dev_button")
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self.buttonGroup = QtWidgets.QButtonGroup(Dialog)
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self.buttonGroup.setObjectName("buttonGroup")
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self.buttonGroup.addButton(self.rel_dev_button)
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self.verticalLayout.addWidget(self.rel_dev_button)
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self.abs_dev_button = QtWidgets.QRadioButton(self.verticalGroupBox)
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self.abs_dev_button.setChecked(True)
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self.abs_dev_button.setObjectName("abs_dev_button")
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self.buttonGroup.addButton(self.abs_dev_button)
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self.verticalLayout.addWidget(self.abs_dev_button)
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self.gridLayout_3.addWidget(self.verticalGroupBox, 2, 0, 1, 1)
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self.graphicsView = GraphicsLayoutWidget(self.stackPage1)
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self.graphicsView.setObjectName("graphicsView")
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self.gridLayout_3.addWidget(self.graphicsView, 0, 0, 1, 5)
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self.stack.addTab(self.stackPage1, "")
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self.stackPage2 = QtWidgets.QWidget()
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self.stackPage2.setObjectName("stackPage2")
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@ -89,10 +112,6 @@ class Ui_Dialog(object):
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self.verticalLayout_3.addWidget(self.corr_tableWidget)
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self.stack.addTab(self.stackPage3, "")
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self.gridLayout.addWidget(self.stack, 0, 1, 5, 1)
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self.buttonBox = QtWidgets.QDialogButtonBox(Dialog)
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self.buttonBox.setStandardButtons(QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok|QtWidgets.QDialogButtonBox.Retry)
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self.buttonBox.setObjectName("buttonBox")
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self.gridLayout.addWidget(self.buttonBox, 8, 0, 1, 2)
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self.param_tableWidget = QtWidgets.QTableWidget(Dialog)
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sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Expanding)
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sizePolicy.setHorizontalStretch(0)
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@ -118,6 +137,20 @@ class Ui_Dialog(object):
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self.line.setFrameShadow(QtWidgets.QFrame.Sunken)
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self.line.setObjectName("line")
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self.gridLayout.addWidget(self.line, 5, 0, 1, 2)
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self.sets_comboBox = ElideComboBox(Dialog)
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sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed)
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sizePolicy.setHorizontalStretch(0)
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sizePolicy.setVerticalStretch(0)
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sizePolicy.setHeightForWidth(self.sets_comboBox.sizePolicy().hasHeightForWidth())
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self.sets_comboBox.setSizePolicy(sizePolicy)
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self.sets_comboBox.setMaximumSize(QtCore.QSize(400, 16777215))
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self.sets_comboBox.setBaseSize(QtCore.QSize(200, 0))
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self.sets_comboBox.setSizeAdjustPolicy(QtWidgets.QComboBox.AdjustToMinimumContentsLength)
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self.sets_comboBox.setObjectName("sets_comboBox")
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self.gridLayout.addWidget(self.sets_comboBox, 0, 0, 1, 1)
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self.reject_fit_checkBox = QtWidgets.QCheckBox(Dialog)
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self.reject_fit_checkBox.setObjectName("reject_fit_checkBox")
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self.gridLayout.addWidget(self.reject_fit_checkBox, 2, 0, 1, 1)
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self.groupBox = QtWidgets.QGroupBox(Dialog)
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self.groupBox.setObjectName("groupBox")
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self.gridLayout_2 = QtWidgets.QGridLayout(self.groupBox)
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@ -186,20 +219,10 @@ class Ui_Dialog(object):
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self.horizontalLayout.addWidget(self.partial_checkBox)
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self.gridLayout_2.addLayout(self.horizontalLayout, 0, 0, 1, 4)
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self.gridLayout.addWidget(self.groupBox, 7, 0, 1, 2)
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self.sets_comboBox = ElideComboBox(Dialog)
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sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed)
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sizePolicy.setHorizontalStretch(0)
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sizePolicy.setVerticalStretch(0)
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sizePolicy.setHeightForWidth(self.sets_comboBox.sizePolicy().hasHeightForWidth())
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self.sets_comboBox.setSizePolicy(sizePolicy)
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self.sets_comboBox.setMaximumSize(QtCore.QSize(400, 16777215))
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self.sets_comboBox.setBaseSize(QtCore.QSize(200, 0))
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self.sets_comboBox.setSizeAdjustPolicy(QtWidgets.QComboBox.AdjustToMinimumContentsLength)
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self.sets_comboBox.setObjectName("sets_comboBox")
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self.gridLayout.addWidget(self.sets_comboBox, 0, 0, 1, 1)
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self.reject_fit_checkBox = QtWidgets.QCheckBox(Dialog)
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self.reject_fit_checkBox.setObjectName("reject_fit_checkBox")
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self.gridLayout.addWidget(self.reject_fit_checkBox, 2, 0, 1, 1)
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self.buttonBox = QtWidgets.QDialogButtonBox(Dialog)
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self.buttonBox.setStandardButtons(QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok|QtWidgets.QDialogButtonBox.Retry)
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self.buttonBox.setObjectName("buttonBox")
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self.gridLayout.addWidget(self.buttonBox, 8, 0, 1, 2)
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self.retranslateUi(Dialog)
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self.stack.setCurrentIndex(0)
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@ -210,8 +233,12 @@ class Ui_Dialog(object):
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Dialog.setWindowTitle(_translate("Dialog", "Fit results"))
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self.autoscale_box.setToolTip(_translate("Dialog", "Auto-scale graph for all sets"))
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self.autoscale_box.setText(_translate("Dialog", "Autoscale all sets"))
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self.logy_box.setText(_translate("Dialog", "logarithmic y axis"))
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self.logx_box.setText(_translate("Dialog", "logarithmic x axis"))
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self.verticalGroupBox_2.setTitle(_translate("Dialog", "Logarithmic axes"))
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self.logx_box.setText(_translate("Dialog", "x axis"))
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self.logy_box.setText(_translate("Dialog", "y axis"))
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self.verticalGroupBox.setTitle(_translate("Dialog", "Residuals"))
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self.rel_dev_button.setText(_translate("Dialog", "relative deviation"))
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self.abs_dev_button.setText(_translate("Dialog", "absolute deviation"))
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self.stack.setTabText(self.stack.indexOf(self.stackPage1), _translate("Dialog", "Plot"))
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self.stack.setTabText(self.stack.indexOf(self.stackPage2), _translate("Dialog", "Statistics"))
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item = self.corr_tableWidget.horizontalHeaderItem(0)
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@ -224,6 +251,7 @@ class Ui_Dialog(object):
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item.setText(_translate("Dialog", "Partial Corr."))
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self.stack.setTabText(self.stack.indexOf(self.stackPage3), _translate("Dialog", "Correlations"))
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self.del_prev_checkBox.setText(_translate("Dialog", "Delete previous fits of this set"))
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self.reject_fit_checkBox.setText(_translate("Dialog", "Reject this fit"))
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self.groupBox.setTitle(_translate("Dialog", "Output"))
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self.extrapolate_box.setToolTip(_translate("Dialog", "Extrapolates only main function"))
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self.extrapolate_box.setText(_translate("Dialog", "Extrapolate curves"))
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@ -236,6 +264,5 @@ class Ui_Dialog(object):
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self.numx_line.setPlaceholderText(_translate("Dialog", "# pts"))
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self.curve_checkbox.setText(_translate("Dialog", "Plot fit curve"))
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self.partial_checkBox.setText(_translate("Dialog", "Plot partial functions"))
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self.reject_fit_checkBox.setText(_translate("Dialog", "Reject this fit"))
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from ..lib.forms import ElideComboBox
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from pyqtgraph import GraphicsLayoutWidget
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@ -1,8 +1,8 @@
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# -*- coding: utf-8 -*-
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# Form implementation generated from reading ui file 'src/resources/_ui/graph.ui'
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# Form implementation generated from reading ui file 'resources/_ui/graph.ui'
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#
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# Created by: PyQt5 UI code generator 5.15.9
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# Created by: PyQt5 UI code generator 5.15.10
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#
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# WARNING: Any manual changes made to this file will be lost when pyuic5 is
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# run again. Do not edit this file unless you know what you are doing.
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@ -271,8 +271,11 @@ class Ui_GraphWindow(object):
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self.label_4.setText(_translate("GraphWindow", "---"))
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self.apply_button.setText(_translate("GraphWindow", "Apply"))
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self.label_5.setText(_translate("GraphWindow", "Title"))
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self.title_lineedit.setToolTip(_translate("GraphWindow", "<html><head/><body><p>Uses simple latex syntax, does not support italic/math environment. Sub-/superscripts need curly brackets.<br/></p><p>Example: \\alpha^{123}</p></body></html>"))
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self.label_6.setText(_translate("GraphWindow", "X Axis"))
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self.xaxis_linedit.setToolTip(_translate("GraphWindow", "<html><head/><body><p>Uses simple latex syntax, does not support italic/math environment. Sub-/superscripts need curly brackets.<br/></p><p>Example: \\alpha^{123}</p></body></html>"))
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self.label_7.setText(_translate("GraphWindow", "Y Axis"))
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self.yaxis_linedit.setToolTip(_translate("GraphWindow", "<html><head/><body><p>Uses simple latex syntax, does not support italic/math environment. Sub-/superscripts need curly brackets.<br/></p><p>Example: \\alpha^{123}</p></body></html>"))
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self.checkBox.setText(_translate("GraphWindow", "Show legend"))
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from ..lib.graph_items import NMRPlotWidget
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from ..lib.listwidget import QListWidgetSelect
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@ -1,6 +1,7 @@
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from math import isnan
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from pyqtgraph import mkBrush, mkPen
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from numpy import abs as np_abs, isfinite as np_isfinite
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from nmreval.utils.text import convert
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from ..lib.graph_items import logTickValues
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@ -69,12 +70,16 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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self.cmap = RdBuCMap(vmin=-1, vmax=1)
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self.graph_checkBox.stateChanged.connect(lambda x: self.graph_comboBox.setEnabled(x == QtCore.Qt.Unchecked))
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self.graph_checkBox.stateChanged.connect(
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lambda x: self.graph_comboBox.setEnabled(x == QtCore.Qt.CheckState.Unchecked)
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)
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self.logy_box.stateChanged.connect(lambda x: self.fit_plot.setLogMode(y=bool(x)))
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self.logx_box.stateChanged.connect(lambda x: self.fit_plot.setLogMode(x=bool(x)))
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self.resid_plot.setXLink(self.fit_plot)
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self.buttonGroup.buttonToggled.connect(self._plot_residuals)
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self.set_results(results)
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def __call__(self, results: list):
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@ -112,7 +117,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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@QtCore.pyqtSlot(int, name='on_sets_comboBox_currentIndexChanged')
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def set_parameter(self, idx: int):
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set_id = self.sets_comboBox.itemData(idx, QtCore.Qt.UserRole)
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set_id = self.sets_comboBox.itemData(idx, QtCore.Qt.ItemDataRole.UserRole)
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res = self._results[set_id]
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self.param_tableWidget.setRowCount(len(res.parameter))
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@ -138,11 +143,11 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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def change_opts(self, _):
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idx = self.sets_comboBox.currentIndex()
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self._opts[idx] = (self.reject_fit_checkBox.checkState() == QtCore.Qt.Checked,
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self.del_prev_checkBox.checkState() == QtCore.Qt.Checked)
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self._opts[idx] = (self.reject_fit_checkBox.checkState() == QtCore.Qt.CheckState.Checked,
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self.del_prev_checkBox.checkState() == QtCore.Qt.CheckState.Checked)
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def show_results(self, idx):
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set_id = self.sets_comboBox.itemData(idx, QtCore.Qt.UserRole)
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set_id = self.sets_comboBox.itemData(idx, QtCore.Qt.ItemDataRole.UserRole)
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self.set_plot(set_id)
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self.set_correlation(set_id)
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self.set_statistics(set_id)
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@ -184,8 +189,6 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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self.data_graph_imag.setData(x=res.x_data, y=res.y_data.imag)
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self.fit_graph.setData(x=res.x, y=res.y.real)
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self.fit_graph_imag.setData(x=res.x, y=res.y.imag)
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self.resid_graph.setData(x=res.x_data, y=res.residual.real)
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self.resid_graph_imag.setData(x=res.x_data, y=res.residual.imag)
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for i, f in enumerate(sub_funcs):
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item = PlotItem(x=f.x, y=f.y.real, pen=mkPen({'color': i, 'style': 2}))
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@ -194,8 +197,6 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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self.fit_plot.addItem(item)
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else:
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self.resid_graph.setData(x=res.x_data, y=res.residual)
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self.resid_graph_imag.setData(x=[], y=[])
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self.data_graph.setData(x=res.x_data, y=res.y_data)
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self.data_graph_imag.setData(x=[], y=[])
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self.fit_graph.setData(x=res.x, y=res.y)
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@ -205,6 +206,8 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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item = PlotItem(x=f.x, y=f.y, pen=mkPen({'color': i, 'style': 2}))
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self.fit_plot.addItem(item)
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self._plot_residuals(idx)
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self.logx_box.blockSignals(True)
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self.logx_box.setChecked(res.islog)
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self.logx_box.blockSignals(False)
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@ -225,6 +228,31 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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else:
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self.fit_plot.enableAutoRange()
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def _plot_residuals(self, idx: str = None):
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print(idx)
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if idx is None or isinstance(idx, QtWidgets.QAbstractButton):
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idx = self.sets_comboBox.currentData(QtCore.Qt.ItemDataRole.UserRole)
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res = self._results[idx]
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if res.iscomplex:
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if self.rel_dev_button.isChecked():
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print('rel')
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self.resid_graph.setData(x=res.x_data, y=res.residual.real/np_abs(res.y_data.real))
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print(res.y_data.imag)
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if all(np_isfinite(res.y_data.imag)):
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self.resid_graph_imag.setData(x=res.x_data, y=res.residual.imag/np_abs(res.y_data.imag))
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else:
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print('abs')
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self.resid_graph.setData(x=res.x_data, y=res.residual.real)
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self.resid_graph_imag.setData(x=res.x_data, y=res.residual.imag)
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else:
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if self.rel_dev_button.isChecked():
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self.resid_graph.setData(x=res.x_data, y=res.residual / np_abs(res.y_data))
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else:
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self.resid_graph.setData(x=res.x_data, y=res.residual)
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self.resid_graph_imag.setData(x=[], y=[])
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def set_correlation(self, idx: str):
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while self.corr_tableWidget.rowCount():
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self.corr_tableWidget.removeRow(0)
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@ -258,20 +286,20 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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self.stats_tableWidget.setRowCount(len(res.statistics)+3)
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it = QtWidgets.QTableWidgetItem(f'{res.dof}')
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it.setFlags(it.flags() ^ QtCore.Qt.ItemIsEditable)
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it.setFlags(it.flags() ^ QtCore.Qt.ItemFlag.ItemIsEditable)
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self.stats_tableWidget.setVerticalHeaderItem(0, QtWidgets.QTableWidgetItem('DoF'))
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self.stats_tableWidget.setItem(0, 0, it)
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for col, (name, _, dof) in enumerate(self._previous_fits[idx], start=1):
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self.stats_tableWidget.setHorizontalHeaderItem(0, QtWidgets.QTableWidgetItem(name))
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it = QtWidgets.QTableWidgetItem(f'{dof}')
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it.setFlags(it.flags() ^ QtCore.Qt.ItemIsEditable)
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it.setFlags(it.flags() ^ QtCore.Qt.ItemFlag.ItemIsEditable)
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self.stats_tableWidget.setItem(0, col, it)
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for row, (k, v) in enumerate(res.statistics.items(), start=1):
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self.stats_tableWidget.setVerticalHeaderItem(row, QtWidgets.QTableWidgetItem(k))
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it = QtWidgets.QTableWidgetItem(f'{v:.4f}')
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it.setFlags(it.flags() ^ QtCore.Qt.ItemIsEditable)
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it.setFlags(it.flags() ^ QtCore.Qt.ItemFlag.ItemIsEditable)
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self.stats_tableWidget.setItem(row, 0, it)
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best_idx = -1
|
||||
@ -282,7 +310,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
|
||||
else:
|
||||
best_idx = col if best_val > stats[k] else max(0, best_idx)
|
||||
it = QtWidgets.QTableWidgetItem(f'{stats[k]:.4f}')
|
||||
it.setFlags(it.flags() ^ QtCore.Qt.ItemIsEditable)
|
||||
it.setFlags(it.flags() ^ QtCore.Qt.ItemFlag.ItemIsEditable)
|
||||
self.stats_tableWidget.setItem(row, col, it)
|
||||
|
||||
if best_idx > -1:
|
||||
@ -299,11 +327,11 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
|
||||
for col, (_, stats, dof) in enumerate(self._previous_fits[idx], start=1):
|
||||
f_value, prob_f = res.f_test(stats['chi^2'], dof)
|
||||
it = QtWidgets.QTableWidgetItem(f'{f_value:.4g}')
|
||||
it.setFlags(it.flags() ^ QtCore.Qt.ItemIsEditable)
|
||||
it.setFlags(it.flags() ^ QtCore.Qt.ItemFlag.ItemIsEditable)
|
||||
self.corr_tableWidget.setItem(row, col, it)
|
||||
|
||||
it = QtWidgets.QTableWidgetItem(f'{prob_f:.4g}')
|
||||
it.setFlags(it.flags() ^ QtCore.Qt.ItemIsEditable)
|
||||
it.setFlags(it.flags() ^ QtCore.Qt.ItemFlag.ItemIsEditable)
|
||||
if prob_f < 0.05:
|
||||
it.setBackground(QtGui.QColor('green'))
|
||||
it.setForeground(QtGui.QColor('white'))
|
||||
@ -319,14 +347,14 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
|
||||
elif button_type == self.buttonBox.Ok:
|
||||
graph = '-1'
|
||||
if self.parameter_checkbox.isChecked():
|
||||
if self.graph_checkBox.checkState() == QtCore.Qt.Checked:
|
||||
if self.graph_checkBox.checkState() == QtCore.Qt.CheckState.Checked:
|
||||
graph = ''
|
||||
else:
|
||||
graph = self.graph_comboBox.currentData()
|
||||
|
||||
plot_fits = self.curve_checkbox.isChecked()
|
||||
|
||||
parts = self.partial_checkBox.checkState() == QtCore.Qt.Checked
|
||||
parts = self.partial_checkBox.checkState() == QtCore.Qt.CheckState.Checked
|
||||
|
||||
extrapolate = [None, None, None]
|
||||
error = []
|
||||
@ -382,7 +410,7 @@ class FitExtension(QtWidgets.QDialog):
|
||||
gridLayout.addWidget(self.num_pts, 2, 1, 1, 1)
|
||||
|
||||
self.buttonBox = QtWidgets.QDialogButtonBox()
|
||||
self.buttonBox.setOrientation(QtCore.Qt.Horizontal)
|
||||
self.buttonBox.setOrientation(QtCore.Qt.Orientation.Horizontal)
|
||||
self.buttonBox.setStandardButtons(QtWidgets.QDialogButtonBox.Cancel | QtWidgets.QDialogButtonBox.Ok)
|
||||
gridLayout.addWidget(self.buttonBox, 3, 0, 1, 2)
|
||||
|
||||
|
||||
@ -73,7 +73,7 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
|
||||
self.scene = self.plotItem.scene()
|
||||
self.scene.sigMouseMoved.connect(self.move_mouse)
|
||||
|
||||
self.checkBox.stateChanged.connect(lambda x: self.legend.setVisible(x == QtCore.Qt.Checked))
|
||||
self.checkBox.stateChanged.connect(lambda x: self.legend.setVisible(x == QtCore.Qt.CheckState.Checked))
|
||||
self.label_button.toggled.connect(lambda x: self.label_widget.setVisible(x))
|
||||
self.limit_button.toggled.connect(lambda x: self.limit_widget.setVisible(x))
|
||||
self.gridbutton.toggled.connect(lambda x: self.graphic.showGrid(x=x, y=x))
|
||||
@ -237,9 +237,13 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
|
||||
self.error_plots[n] = err_plot
|
||||
|
||||
list_item = QtWidgets.QListWidgetItem(real_plot.opts.get('name', ''))
|
||||
list_item.setData(QtCore.Qt.UserRole, n)
|
||||
list_item.setFlags(QtCore.Qt.ItemIsEnabled | QtCore.Qt.ItemIsSelectable | QtCore.Qt.ItemIsUserCheckable)
|
||||
list_item.setCheckState(QtCore.Qt.Checked)
|
||||
list_item.setData(QtCore.Qt.ItemDataRole.UserRole, n)
|
||||
list_item.setFlags(
|
||||
QtCore.Qt.ItemFlag.ItemIsEnabled |
|
||||
QtCore.Qt.ItemFlag.ItemIsSelectable |
|
||||
QtCore.Qt.ItemFlag.ItemIsUserCheckable
|
||||
)
|
||||
list_item.setCheckState(QtCore.Qt.CheckState.Checked)
|
||||
self.listWidget.addItem(list_item)
|
||||
|
||||
toplevel += 1
|
||||
@ -271,7 +275,7 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
|
||||
|
||||
for i in range(self.listWidget.count()-1, 0, -1):
|
||||
item = self.listWidget.item(i)
|
||||
if item.data(QtCore.Qt.UserRole) in name:
|
||||
if item.data(QtCore.Qt.ItemDataRole.UserRole) in name:
|
||||
self.listWidget.takeItem(i)
|
||||
|
||||
self.listWidget.blockSignals(False)
|
||||
@ -465,24 +469,37 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
|
||||
_y = pos.y()
|
||||
self.mousePositionChanged.emit(_x, _y)
|
||||
|
||||
@QtCore.pyqtSlot(name='on_title_lineedit_returnPressed')
|
||||
@QtCore.pyqtSlot(name='on_xaxis_linedit_returnPressed')
|
||||
@QtCore.pyqtSlot(name='on_yaxis_linedit_returnPressed')
|
||||
def labels_changed(self):
|
||||
label = {self.title_lineedit: 'title', self.xaxis_linedit: 'x', self.yaxis_linedit: 'y'}[self.sender()]
|
||||
self.set_label(**{label: self.sender().text()})
|
||||
@QtCore.pyqtSlot(str, name='on_title_lineedit_textChanged')
|
||||
@QtCore.pyqtSlot(str, name='on_xaxis_linedit_textChanged')
|
||||
@QtCore.pyqtSlot(str, name='on_yaxis_linedit_textChanged')
|
||||
def labels_changed(self, text: str):
|
||||
label = {
|
||||
self.title_lineedit: 'title',
|
||||
self.xaxis_linedit: 'x',
|
||||
self.yaxis_linedit: 'y',
|
||||
}[self.sender()]
|
||||
self.set_label(**{label: text})
|
||||
|
||||
def set_label(self, x=None, y=None, title=None):
|
||||
def set_label(self, x: str = None, y: str = None, title: str = None):
|
||||
if title is not None:
|
||||
self.plotItem.setTitle(convert(title, old='tex', new='html'), **{'size': '10pt', 'color': self._fgcolor})
|
||||
self.plotItem.setTitle(
|
||||
convert(title, old='tex', new='html'),
|
||||
**{'size': '10pt', 'color': self._fgcolor},
|
||||
)
|
||||
|
||||
if x is not None:
|
||||
self.plotItem.setLabel('bottom', convert(x, old='tex', new='html'),
|
||||
**{'font-size': '10pt', 'color': self._fgcolor.name()})
|
||||
self.plotItem.setLabel(
|
||||
'bottom',
|
||||
convert(x, old='tex', new='html'),
|
||||
**{'font-size': '10pt', 'color': self._fgcolor.name()},
|
||||
)
|
||||
|
||||
if y is not None:
|
||||
self.plotItem.setLabel('left', convert(y, old='tex', new='html'),
|
||||
**{'font-size': '10pt', 'color': self._fgcolor.name()})
|
||||
self.plotItem.setLabel(
|
||||
'left',
|
||||
convert(y, old='tex', new='html'),
|
||||
**{'font-size': '10pt', 'color': self._fgcolor.name()},
|
||||
)
|
||||
|
||||
def set_logmode(self, xmode: bool = None, ymode: bool = None):
|
||||
r = self.ranges
|
||||
@ -588,7 +605,7 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
|
||||
|
||||
for i in range(self.listWidget.count()):
|
||||
item = self.listWidget.item(i)
|
||||
if item.data(QtCore.Qt.UserRole) == sid:
|
||||
if item.data(QtCore.Qt.ItemDataRole.UserRole) == sid:
|
||||
item.setText(convert(name, old='tex', new='html'))
|
||||
|
||||
self.listWidget.blockSignals(False)
|
||||
|
||||
@ -84,11 +84,11 @@ class QFCReader(QtWidgets.QDialog, Ui_FCEval_dialog):
|
||||
if self.region_box.isChecked():
|
||||
start = None
|
||||
if self.start_lineedit.text():
|
||||
start = float(self.start_lineedit.text())
|
||||
start = float(self.start_lineedit.text())*1e-6
|
||||
|
||||
stop = None
|
||||
if self.stop_lineedit.text():
|
||||
stop = float(self.stop_lineedit.text())
|
||||
stop = float(self.stop_lineedit.text())*1e-6
|
||||
region = (start, stop)
|
||||
|
||||
fc_eval = FCReader(items)
|
||||
|
||||
@ -34,9 +34,9 @@ class SciSpinBox(QtWidgets.QDoubleSpinBox):
|
||||
|
||||
new_value = self._prev_value
|
||||
if new_value != 0.0:
|
||||
new_value *= 10**(step/19.)
|
||||
new_value *= 10**(step/99.)
|
||||
else:
|
||||
new_value = 0.001
|
||||
new_value = 0.00001
|
||||
|
||||
self.setValue(new_value)
|
||||
self.lineEdit().setText(f'{new_value:.3e}')
|
||||
|
||||
@ -1,5 +1,6 @@
|
||||
import numpy as np
|
||||
|
||||
from . import PowerLaw
|
||||
from ..distributions import Debye, ColeCole, ColeDavidson, KWW, HavriliakNegami
|
||||
from ..utils.constants import epsilon0
|
||||
|
||||
@ -232,8 +233,8 @@ class DCCondBDS:
|
||||
|
||||
|
||||
class DerivativeHavriliakNegami:
|
||||
name = 'Derivative HN'
|
||||
type = 'Dielectric Spectroscopy'
|
||||
name = 'Havriliak-Negami (der.)'
|
||||
type = 'Dielectric Spectroscopy (derivative)'
|
||||
params = [r'\Delta\epsilon', r'\tau', r'\alpha', r'\gamma']
|
||||
choices = [
|
||||
('x axis', 'xaxis', {'Frequency': 'freq', 'Omega': 'omega'})
|
||||
@ -254,8 +255,8 @@ class DerivativeHavriliakNegami:
|
||||
|
||||
|
||||
class DerivativeColeCole:
|
||||
name = 'Derivative CC'
|
||||
type = 'Dielectric Spectroscopy'
|
||||
name = 'Cole-Cole (der.)'
|
||||
type = 'Dielectric Spectroscopy (derivative)'
|
||||
params = [r'\Delta\epsilon', r'\tau', r'\alpha']
|
||||
bounds = [(0, None), (0, None), (0, 1)]
|
||||
choices = [
|
||||
@ -276,8 +277,8 @@ class DerivativeColeCole:
|
||||
|
||||
|
||||
class DerivativeColeDavidson:
|
||||
name = 'Derivative CD'
|
||||
type = 'Dielectric Spectroscopy'
|
||||
name = 'Cole-Davidson (der.)'
|
||||
type = 'Dielectric Spectroscopy (derivative)'
|
||||
params = [r'\Delta\epsilon', r'\tau', r'\gamma']
|
||||
bounds = [(0, None), (0, None), (0, 1)]
|
||||
choices = [
|
||||
@ -295,8 +296,8 @@ class DerivativeColeDavidson:
|
||||
|
||||
|
||||
class _DerivativeHNWithHF:
|
||||
name = 'Derivative (HN + HF wing)'
|
||||
type = 'Dielectric Spectroscopy'
|
||||
name = 'HN + HF wing (der.)'
|
||||
type = 'Dielectric Spectroscopy (derivative)'
|
||||
params = [r'\Delta\epsilon', r'\tau', r'\alpha', r'\gamma', r'\tau_{c}', r'\delta']
|
||||
bounds = [(0, None), (0, None), (0, 1), (0, 1), (0, None), (0, 1)]
|
||||
choices = [
|
||||
@ -325,8 +326,8 @@ class _DerivativeHNWithHF:
|
||||
|
||||
|
||||
class DerivativeCCWithHF:
|
||||
name = 'Derivative (CC + HF wing)'
|
||||
type = 'Dielectric Spectroscopy'
|
||||
name = 'CC + HF wing (der.)'
|
||||
type = 'Dielectric Spectroscopy (derivative)'
|
||||
params = [r'\Delta\epsilon', r'\tau', r'\alpha', r'\tau_{c}', r'\delta']
|
||||
bounds = [(0, None), (0, None), (0, 1), (0, None), (0, 1)]
|
||||
choices = [
|
||||
@ -339,8 +340,8 @@ class DerivativeCCWithHF:
|
||||
|
||||
|
||||
class DerivativeCDWithHF:
|
||||
name = 'Derivative (CD + HF wing)'
|
||||
type = 'Dielectric Spectroscopy'
|
||||
name = 'CD + HF wing (der.)'
|
||||
type = 'Dielectric Spectroscopy (derivative)'
|
||||
params = [r'\Delta\epsilon', r'\tau', r'\gamma', r'\tau_{c}', r'\delta']
|
||||
bounds = [(0, None), (0, None), (0, 1), (0, None), (0, 1)]
|
||||
choices = [
|
||||
@ -352,6 +353,22 @@ class DerivativeCDWithHF:
|
||||
return _DerivativeHNWithHF.func(x, deps, tau, 1, gamma, tauc, delta, xaxis=xaxis)
|
||||
|
||||
|
||||
class PowerLawBDSDer:
|
||||
name = 'Power Law'
|
||||
type = 'Dielectric Spectroscopy (derivative)'
|
||||
equation = r'A * \omega^{n}'
|
||||
params = ['A', 'n']
|
||||
bounds = [(None, None), (None, None)]
|
||||
choices = [
|
||||
('x axis', 'xaxis', {'Frequency': 'freq', 'Omega': 'omega'})
|
||||
]
|
||||
|
||||
@staticmethod
|
||||
def func(x, a, n, xaxis: str = 'freq'):
|
||||
_w = _convert_x_to_omega(x, xaxis=xaxis)
|
||||
return a * _w ** n
|
||||
|
||||
|
||||
def _convert_x_to_omega(x, xaxis: str = 'freq'):
|
||||
if xaxis not in ['freq', 'omega']:
|
||||
raise ValueError(f'Argument `xaxis` is `freq` or `omega`, given is {xaxis!r}')
|
||||
|
||||
@ -31,13 +31,13 @@
|
||||
</attribute>
|
||||
<layout class="QGridLayout" name="gridLayout_3">
|
||||
<property name="leftMargin">
|
||||
<number>3</number>
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="topMargin">
|
||||
<number>3</number>
|
||||
</property>
|
||||
<property name="rightMargin">
|
||||
<number>3</number>
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="bottomMargin">
|
||||
<number>3</number>
|
||||
@ -45,7 +45,20 @@
|
||||
<property name="spacing">
|
||||
<number>3</number>
|
||||
</property>
|
||||
<item row="2" column="0">
|
||||
<item row="2" column="3">
|
||||
<spacer name="horizontalSpacer_2">
|
||||
<property name="orientation">
|
||||
<enum>Qt::Horizontal</enum>
|
||||
</property>
|
||||
<property name="sizeHint" stdset="0">
|
||||
<size>
|
||||
<width>40</width>
|
||||
<height>20</height>
|
||||
</size>
|
||||
</property>
|
||||
</spacer>
|
||||
</item>
|
||||
<item row="2" column="4">
|
||||
<widget class="QToolButton" name="autoscale_box">
|
||||
<property name="toolTip">
|
||||
<string>Auto-scale graph for all sets</string>
|
||||
@ -55,29 +68,6 @@
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="2" column="3">
|
||||
<widget class="QCheckBox" name="logy_box">
|
||||
<property name="layoutDirection">
|
||||
<enum>Qt::LeftToRight</enum>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>logarithmic y axis</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="0" column="0" colspan="4">
|
||||
<widget class="GraphicsLayoutWidget" name="graphicsView"/>
|
||||
</item>
|
||||
<item row="2" column="2">
|
||||
<widget class="QCheckBox" name="logx_box">
|
||||
<property name="layoutDirection">
|
||||
<enum>Qt::LeftToRight</enum>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>logarithmic x axis</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="2" column="1">
|
||||
<spacer name="horizontalSpacer">
|
||||
<property name="orientation">
|
||||
@ -91,6 +81,70 @@
|
||||
</property>
|
||||
</spacer>
|
||||
</item>
|
||||
<item row="2" column="2">
|
||||
<widget class="QGroupBox" name="verticalGroupBox_2">
|
||||
<property name="title">
|
||||
<string>Logarithmic axes</string>
|
||||
</property>
|
||||
<layout class="QVBoxLayout" name="verticalLayout_4">
|
||||
<item>
|
||||
<widget class="QCheckBox" name="logx_box">
|
||||
<property name="layoutDirection">
|
||||
<enum>Qt::LeftToRight</enum>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>x axis</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QCheckBox" name="logy_box">
|
||||
<property name="layoutDirection">
|
||||
<enum>Qt::LeftToRight</enum>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>y axis</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="2" column="0">
|
||||
<widget class="QGroupBox" name="verticalGroupBox">
|
||||
<property name="title">
|
||||
<string>Residuals</string>
|
||||
</property>
|
||||
<layout class="QVBoxLayout" name="verticalLayout">
|
||||
<item>
|
||||
<widget class="QRadioButton" name="rel_dev_button">
|
||||
<property name="text">
|
||||
<string>relative deviation</string>
|
||||
</property>
|
||||
<attribute name="buttonGroup">
|
||||
<string notr="true">buttonGroup</string>
|
||||
</attribute>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QRadioButton" name="abs_dev_button">
|
||||
<property name="text">
|
||||
<string>absolute deviation</string>
|
||||
</property>
|
||||
<property name="checked">
|
||||
<bool>true</bool>
|
||||
</property>
|
||||
<attribute name="buttonGroup">
|
||||
<string notr="true">buttonGroup</string>
|
||||
</attribute>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="0" column="0" colspan="5">
|
||||
<widget class="GraphicsLayoutWidget" name="graphicsView"/>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
<widget class="QWidget" name="stackPage2">
|
||||
@ -198,13 +252,6 @@
|
||||
</widget>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="8" column="0" colspan="2">
|
||||
<widget class="QDialogButtonBox" name="buttonBox">
|
||||
<property name="standardButtons">
|
||||
<set>QDialogButtonBox::Cancel|QDialogButtonBox::Ok|QDialogButtonBox::Retry</set>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="1" column="0">
|
||||
<widget class="QTableWidget" name="param_tableWidget">
|
||||
<property name="sizePolicy">
|
||||
@ -254,6 +301,38 @@
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="0" column="0">
|
||||
<widget class="ElideComboBox" name="sets_comboBox">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="Maximum" vsizetype="Fixed">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="maximumSize">
|
||||
<size>
|
||||
<width>400</width>
|
||||
<height>16777215</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="baseSize">
|
||||
<size>
|
||||
<width>200</width>
|
||||
<height>0</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="sizeAdjustPolicy">
|
||||
<enum>QComboBox::AdjustToMinimumContentsLength</enum>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="2" column="0">
|
||||
<widget class="QCheckBox" name="reject_fit_checkBox">
|
||||
<property name="text">
|
||||
<string>Reject this fit</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="7" column="0" colspan="2">
|
||||
<widget class="QGroupBox" name="groupBox">
|
||||
<property name="title">
|
||||
@ -400,35 +479,10 @@
|
||||
</layout>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="0" column="0">
|
||||
<widget class="ElideComboBox" name="sets_comboBox">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="Maximum" vsizetype="Fixed">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="maximumSize">
|
||||
<size>
|
||||
<width>400</width>
|
||||
<height>16777215</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="baseSize">
|
||||
<size>
|
||||
<width>200</width>
|
||||
<height>0</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="sizeAdjustPolicy">
|
||||
<enum>QComboBox::AdjustToMinimumContentsLength</enum>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="2" column="0">
|
||||
<widget class="QCheckBox" name="reject_fit_checkBox">
|
||||
<property name="text">
|
||||
<string>Reject this fit</string>
|
||||
<item row="8" column="0" colspan="2">
|
||||
<widget class="QDialogButtonBox" name="buttonBox">
|
||||
<property name="standardButtons">
|
||||
<set>QDialogButtonBox::Cancel|QDialogButtonBox::Ok|QDialogButtonBox::Retry</set>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
@ -448,4 +502,7 @@
|
||||
</customwidgets>
|
||||
<resources/>
|
||||
<connections/>
|
||||
<buttongroups>
|
||||
<buttongroup name="buttonGroup"/>
|
||||
</buttongroups>
|
||||
</ui>
|
||||
|
||||
@ -449,7 +449,11 @@
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QLineEdit" name="title_lineedit"/>
|
||||
<widget class="QLineEdit" name="title_lineedit">
|
||||
<property name="toolTip">
|
||||
<string><html><head/><body><p>Uses simple latex syntax, does not support italic/math environment. Sub-/superscripts need curly brackets.<br/></p><p>Example: \alpha^{123}</p></body></html></string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<spacer name="horizontalSpacer_3">
|
||||
@ -475,7 +479,11 @@
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QLineEdit" name="xaxis_linedit"/>
|
||||
<widget class="QLineEdit" name="xaxis_linedit">
|
||||
<property name="toolTip">
|
||||
<string><html><head/><body><p>Uses simple latex syntax, does not support italic/math environment. Sub-/superscripts need curly brackets.<br/></p><p>Example: \alpha^{123}</p></body></html></string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<spacer name="horizontalSpacer_4">
|
||||
@ -501,7 +509,11 @@
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QLineEdit" name="yaxis_linedit"/>
|
||||
<widget class="QLineEdit" name="yaxis_linedit">
|
||||
<property name="toolTip">
|
||||
<string><html><head/><body><p>Uses simple latex syntax, does not support italic/math environment. Sub-/superscripts need curly brackets.<br/></p><p>Example: \alpha^{123}</p></body></html></string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
|
||||
Loading…
Reference in New Issue
Block a user