forked from IPKM/nmreval
make log-spacing explicit option for custom fit x values (#227)
closes #225
This commit is contained in:
parent
3626cfc7ea
commit
813e18a744
@ -1,6 +1,6 @@
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# -*- coding: utf-8 -*-
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# Form implementation generated from reading ui file 'resources/_ui/fitresult.ui'
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# Form implementation generated from reading ui file 'src/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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@ -157,67 +157,91 @@ class Ui_Dialog(object):
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self.gridLayout_2.setContentsMargins(3, 3, 3, 3)
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self.gridLayout_2.setSpacing(3)
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self.gridLayout_2.setObjectName("gridLayout_2")
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self.extrapolate_box = QtWidgets.QCheckBox(self.groupBox)
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self.extrapolate_box.setObjectName("extrapolate_box")
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self.gridLayout_2.addWidget(self.extrapolate_box, 1, 0, 1, 1)
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self.parameter_checkbox = QtWidgets.QCheckBox(self.groupBox)
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self.parameter_checkbox.setObjectName("parameter_checkbox")
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self.gridLayout_2.addWidget(self.parameter_checkbox, 0, 5, 1, 1)
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self.graph_comboBox = QtWidgets.QComboBox(self.groupBox)
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self.graph_comboBox.setEnabled(False)
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sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Fixed)
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sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Fixed)
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sizePolicy.setHorizontalStretch(0)
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sizePolicy.setVerticalStretch(0)
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sizePolicy.setHeightForWidth(self.graph_comboBox.sizePolicy().hasHeightForWidth())
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self.graph_comboBox.setSizePolicy(sizePolicy)
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self.graph_comboBox.setObjectName("graph_comboBox")
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self.gridLayout_2.addWidget(self.graph_comboBox, 1, 6, 1, 1)
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self.graph_checkBox = QtWidgets.QCheckBox(self.groupBox)
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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.graph_checkBox.sizePolicy().hasHeightForWidth())
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self.graph_checkBox.setSizePolicy(sizePolicy)
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self.graph_checkBox.setChecked(True)
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self.graph_checkBox.setObjectName("graph_checkBox")
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self.gridLayout_2.addWidget(self.graph_checkBox, 1, 5, 1, 1)
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self.gridLayout_2.addWidget(self.graph_comboBox, 1, 7, 1, 1)
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self.minx_line = QtWidgets.QLineEdit(self.groupBox)
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self.minx_line.setEnabled(False)
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sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Fixed)
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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.minx_line.sizePolicy().hasHeightForWidth())
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self.minx_line.setSizePolicy(sizePolicy)
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self.minx_line.setObjectName("minx_line")
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self.gridLayout_2.addWidget(self.minx_line, 1, 1, 1, 1)
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self.line_2 = QtWidgets.QFrame(self.groupBox)
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self.line_2.setFrameShape(QtWidgets.QFrame.VLine)
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self.line_2.setFrameShadow(QtWidgets.QFrame.Sunken)
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self.line_2.setObjectName("line_2")
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self.gridLayout_2.addWidget(self.line_2, 0, 4, 2, 1)
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self.extrapolate_box = QtWidgets.QCheckBox(self.groupBox)
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self.extrapolate_box.setObjectName("extrapolate_box")
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self.gridLayout_2.addWidget(self.extrapolate_box, 1, 0, 1, 1)
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self.numx_line = QtWidgets.QLineEdit(self.groupBox)
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self.numx_line.setEnabled(False)
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sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Fixed)
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sizePolicy.setHorizontalStretch(0)
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sizePolicy.setVerticalStretch(0)
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sizePolicy.setHeightForWidth(self.numx_line.sizePolicy().hasHeightForWidth())
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self.numx_line.setSizePolicy(sizePolicy)
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self.numx_line.setObjectName("numx_line")
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self.gridLayout_2.addWidget(self.numx_line, 1, 3, 1, 1)
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self.graph_checkBox = QtWidgets.QCheckBox(self.groupBox)
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sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Fixed)
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sizePolicy.setHorizontalStretch(0)
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sizePolicy.setVerticalStretch(0)
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sizePolicy.setHeightForWidth(self.graph_checkBox.sizePolicy().hasHeightForWidth())
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self.graph_checkBox.setSizePolicy(sizePolicy)
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self.graph_checkBox.setChecked(True)
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self.graph_checkBox.setObjectName("graph_checkBox")
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self.gridLayout_2.addWidget(self.graph_checkBox, 1, 6, 1, 1)
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self.maxx_line = QtWidgets.QLineEdit(self.groupBox)
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self.maxx_line.setEnabled(False)
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sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Fixed)
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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.maxx_line.sizePolicy().hasHeightForWidth())
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self.maxx_line.setSizePolicy(sizePolicy)
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self.maxx_line.setObjectName("maxx_line")
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self.gridLayout_2.addWidget(self.maxx_line, 1, 2, 1, 1)
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self.numx_line = QtWidgets.QLineEdit(self.groupBox)
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self.numx_line.setEnabled(False)
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self.numx_line.setObjectName("numx_line")
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self.gridLayout_2.addWidget(self.numx_line, 1, 3, 1, 1)
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self.line_2 = QtWidgets.QFrame(self.groupBox)
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self.line_2.setFrameShape(QtWidgets.QFrame.VLine)
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self.line_2.setFrameShadow(QtWidgets.QFrame.Sunken)
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self.line_2.setObjectName("line_2")
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self.gridLayout_2.addWidget(self.line_2, 0, 5, 2, 1)
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self.newx_log_checkbox = QtWidgets.QCheckBox(self.groupBox)
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self.newx_log_checkbox.setEnabled(False)
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self.newx_log_checkbox.setObjectName("newx_log_checkbox")
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self.gridLayout_2.addWidget(self.newx_log_checkbox, 1, 4, 1, 1)
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self.horizontalLayout = QtWidgets.QHBoxLayout()
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self.horizontalLayout.setObjectName("horizontalLayout")
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self.curve_checkbox = QtWidgets.QCheckBox(self.groupBox)
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sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Fixed)
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sizePolicy.setHorizontalStretch(0)
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sizePolicy.setVerticalStretch(0)
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sizePolicy.setHeightForWidth(self.curve_checkbox.sizePolicy().hasHeightForWidth())
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self.curve_checkbox.setSizePolicy(sizePolicy)
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self.curve_checkbox.setChecked(True)
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self.curve_checkbox.setObjectName("curve_checkbox")
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self.horizontalLayout.addWidget(self.curve_checkbox)
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self.partial_checkBox = QtWidgets.QCheckBox(self.groupBox)
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sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Fixed)
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sizePolicy.setHorizontalStretch(0)
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sizePolicy.setVerticalStretch(0)
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sizePolicy.setHeightForWidth(self.partial_checkBox.sizePolicy().hasHeightForWidth())
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self.partial_checkBox.setSizePolicy(sizePolicy)
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self.partial_checkBox.setObjectName("partial_checkBox")
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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_2.addLayout(self.horizontalLayout, 0, 0, 1, 5)
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self.parameter_checkbox = QtWidgets.QCheckBox(self.groupBox)
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sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Fixed)
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sizePolicy.setHorizontalStretch(0)
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sizePolicy.setVerticalStretch(0)
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sizePolicy.setHeightForWidth(self.parameter_checkbox.sizePolicy().hasHeightForWidth())
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self.parameter_checkbox.setSizePolicy(sizePolicy)
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self.parameter_checkbox.setObjectName("parameter_checkbox")
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self.gridLayout_2.addWidget(self.parameter_checkbox, 0, 6, 1, 2)
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self.gridLayout.addWidget(self.groupBox, 7, 0, 1, 2)
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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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@ -253,16 +277,17 @@ class Ui_Dialog(object):
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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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self.parameter_checkbox.setText(_translate("Dialog", "Plot parameter"))
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self.graph_checkBox.setText(_translate("Dialog", "New graph for parameter"))
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self.minx_line.setToolTip(_translate("Dialog", "Leave empty to start at lowest point"))
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self.minx_line.setPlaceholderText(_translate("Dialog", "min x"))
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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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self.numx_line.setPlaceholderText(_translate("Dialog", "# pts"))
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self.graph_checkBox.setText(_translate("Dialog", "New graph for parameter"))
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self.maxx_line.setToolTip(_translate("Dialog", "Leave empty to start at highest point"))
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self.maxx_line.setPlaceholderText(_translate("Dialog", "max x"))
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self.numx_line.setPlaceholderText(_translate("Dialog", "# pts"))
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self.newx_log_checkbox.setText(_translate("Dialog", "log-spaced?"))
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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.parameter_checkbox.setText(_translate("Dialog", "Plot parameter"))
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from ..lib.forms import ElideComboBox
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from pyqtgraph import GraphicsLayoutWidget
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@ -1,3 +1,5 @@
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from __future__ import annotations
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from math import isnan
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from pyqtgraph import mkBrush, mkPen
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@ -28,6 +30,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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self.extrapolate_box.stateChanged.connect(lambda x: self.maxx_line.setEnabled(x))
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self.extrapolate_box.stateChanged.connect(lambda x: self.minx_line.setEnabled(x))
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self.extrapolate_box.stateChanged.connect(lambda x: self.numx_line.setEnabled(x))
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self.extrapolate_box.stateChanged.connect(lambda x: self.newx_log_checkbox.setEnabled(x))
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self._previous_fits = {}
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self._opts = []
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@ -352,7 +355,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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parts = self.partial_checkBox.checkState() == QtCore.Qt.CheckState.Checked
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extrapolate = [None, None, None]
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extrapolate = [None, None, None, None]
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error = []
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if self.extrapolate_box.isChecked():
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try:
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@ -368,6 +371,8 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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except (TypeError, ValueError):
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error.append('Number of points is missing')
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extrapolate[3] = self.newx_log_checkbox.isChecked()
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if error:
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msg = QtWidgets.QMessageBox.warning(self, 'Error', 'Extrapolation failed because:\n' + '\n'.join(error))
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return
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@ -405,10 +410,13 @@ class FitExtension(QtWidgets.QDialog):
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self.num_pts.setValidator(QtGui.QIntValidator())
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gridLayout.addWidget(self.num_pts, 2, 1, 1, 1)
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self.logx_checkbox = QtWidgets.QCheckBox('Log-spaced?')
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gridLayout.addWidget(self.logx_checkbox, 3, 0, 1, 2)
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self.buttonBox = QtWidgets.QDialogButtonBox()
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self.buttonBox.setOrientation(QtCore.Qt.Orientation.Horizontal)
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self.buttonBox.setStandardButtons(QtWidgets.QDialogButtonBox.Cancel | QtWidgets.QDialogButtonBox.Ok)
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gridLayout.addWidget(self.buttonBox, 3, 0, 1, 2)
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gridLayout.addWidget(self.buttonBox, 4, 0, 1, 2)
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self.setLayout(gridLayout)
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@ -416,12 +424,13 @@ class FitExtension(QtWidgets.QDialog):
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self.buttonBox.rejected.connect(self.reject)
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@property
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def values(self):
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def values(self) -> tuple[float, float, int, bool] | None:
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try:
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xmin = float(self.min_line.text())
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xmax = float(self.max_line.text())
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nums = int(self.num_pts.text())
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logx = self.logx_checkbox.isChecked()
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except TypeError:
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return None
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return xmin, xmax, nums
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return xmin, xmax, nums, logx
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@ -984,7 +984,8 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
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res = w.exec()
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if res:
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p = w.values
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x = linspace(p[0], p[1], num=p[2])
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spacefunc = geomspace if p[3] else linspace
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x = spacefunc(p[0], p[1], num=p[2])
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self.management.extend_fits(sets, x)
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@QtCore.pyqtSlot(name='on_action_create_fit_function_triggered')
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@ -613,7 +613,7 @@ class UpperManagement(QtCore.QObject):
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continue
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if not all(e is None for e in extrapolate):
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spacefunc = np.geomspace if fit.islog else np.linspace
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spacefunc = np.geomspace if extrapolate[3] else np.linspace
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xmin = fit.x.min()
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xmax = fit.x.max()
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@ -354,59 +354,26 @@
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<property name="spacing">
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<number>3</number>
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</property>
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<item row="1" column="0">
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<widget class="QCheckBox" name="extrapolate_box">
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<property name="toolTip">
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<string>Extrapolates only main function</string>
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</property>
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<property name="text">
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<string>Extrapolate curves</string>
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</property>
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</widget>
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</item>
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<item row="0" column="5">
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<widget class="QCheckBox" name="parameter_checkbox">
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<property name="text">
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<string>Plot parameter</string>
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</property>
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</widget>
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</item>
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<item row="1" column="6">
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<item row="1" column="7">
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<widget class="QComboBox" name="graph_comboBox">
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<property name="enabled">
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<bool>false</bool>
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</property>
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<property name="sizePolicy">
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<sizepolicy hsizetype="Expanding" vsizetype="Fixed">
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<sizepolicy hsizetype="MinimumExpanding" vsizetype="Fixed">
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<horstretch>0</horstretch>
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<verstretch>0</verstretch>
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</sizepolicy>
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</property>
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</widget>
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</item>
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<item row="1" column="5">
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<widget class="QCheckBox" name="graph_checkBox">
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<property name="sizePolicy">
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<sizepolicy hsizetype="Maximum" vsizetype="Fixed">
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<horstretch>0</horstretch>
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<verstretch>0</verstretch>
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</sizepolicy>
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</property>
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<property name="text">
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<string>New graph for parameter</string>
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</property>
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<property name="checked">
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<bool>true</bool>
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</property>
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</widget>
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</item>
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<item row="1" column="1">
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<widget class="QLineEdit" name="minx_line">
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<property name="enabled">
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<bool>false</bool>
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</property>
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<property name="sizePolicy">
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<sizepolicy hsizetype="Preferred" vsizetype="Fixed">
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<sizepolicy hsizetype="Maximum" vsizetype="Fixed">
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<horstretch>0</horstretch>
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<verstretch>0</verstretch>
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</sizepolicy>
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@ -419,10 +386,45 @@
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</property>
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</widget>
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</item>
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<item row="0" column="4" rowspan="2">
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<widget class="Line" name="line_2">
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<property name="orientation">
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<enum>Qt::Vertical</enum>
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<item row="1" column="0">
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<widget class="QCheckBox" name="extrapolate_box">
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<property name="toolTip">
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<string>Extrapolates only main function</string>
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</property>
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<property name="text">
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<string>Extrapolate curves</string>
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</property>
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</widget>
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</item>
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<item row="1" column="3">
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<widget class="QLineEdit" name="numx_line">
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<property name="enabled">
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<bool>false</bool>
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</property>
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<property name="sizePolicy">
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<sizepolicy hsizetype="Preferred" vsizetype="Fixed">
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<horstretch>0</horstretch>
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<verstretch>0</verstretch>
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</sizepolicy>
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</property>
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<property name="placeholderText">
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<string># pts</string>
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</property>
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</widget>
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</item>
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<item row="1" column="6">
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<widget class="QCheckBox" name="graph_checkBox">
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<property name="sizePolicy">
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<sizepolicy hsizetype="MinimumExpanding" vsizetype="Fixed">
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<horstretch>0</horstretch>
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<verstretch>0</verstretch>
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</sizepolicy>
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</property>
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<property name="text">
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<string>New graph for parameter</string>
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</property>
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<property name="checked">
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<bool>true</bool>
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</property>
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</widget>
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</item>
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@ -432,7 +434,7 @@
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<bool>false</bool>
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</property>
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<property name="sizePolicy">
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<sizepolicy hsizetype="Preferred" vsizetype="Fixed">
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<sizepolicy hsizetype="Maximum" vsizetype="Fixed">
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<horstretch>0</horstretch>
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<verstretch>0</verstretch>
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</sizepolicy>
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@ -445,20 +447,33 @@
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</property>
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</widget>
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</item>
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<item row="1" column="3">
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<widget class="QLineEdit" name="numx_line">
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<property name="enabled">
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<bool>false</bool>
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</property>
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<property name="placeholderText">
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<string># pts</string>
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||||
<item row="0" column="5" rowspan="2">
|
||||
<widget class="Line" name="line_2">
|
||||
<property name="orientation">
|
||||
<enum>Qt::Vertical</enum>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="0" column="0" colspan="4">
|
||||
<item row="1" column="4">
|
||||
<widget class="QCheckBox" name="newx_log_checkbox">
|
||||
<property name="enabled">
|
||||
<bool>false</bool>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>log-spaced?</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="0" column="0" colspan="5">
|
||||
<layout class="QHBoxLayout" name="horizontalLayout">
|
||||
<item>
|
||||
<widget class="QCheckBox" name="curve_checkbox">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="Preferred" vsizetype="Fixed">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Plot fit curve</string>
|
||||
</property>
|
||||
@ -469,6 +484,12 @@
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QCheckBox" name="partial_checkBox">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="Preferred" vsizetype="Fixed">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Plot partial functions</string>
|
||||
</property>
|
||||
@ -476,6 +497,19 @@
|
||||
</item>
|
||||
</layout>
|
||||
</item>
|
||||
<item row="0" column="6" colspan="2">
|
||||
<widget class="QCheckBox" name="parameter_checkbox">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="Fixed">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Plot parameter</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
</item>
|
||||
|
||||
Loading…
Reference in New Issue
Block a user