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forked from IPKM/nmreval

Binning and Tg (#85)

add binning; determine Tg of DSC;

closes #60; part of #61

Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: IPKM/nmreval#85
This commit is contained in:
2023-06-20 17:13:13 +00:00
parent 22f8bc80ed
commit a26595695c
26 changed files with 1643 additions and 353 deletions

View File

@ -2,7 +2,7 @@
# Form implementation generated from reading ui file 'src/resources/_ui/asciidialog.ui'
#
# Created by: PyQt5 UI code generator 5.15.7
# Created by: PyQt5 UI code generator 5.15.9
#
# WARNING: Any manual changes made to this file will be lost when pyuic5 is
# run again. Do not edit this file unless you know what you are doing.
@ -28,92 +28,25 @@ class Ui_ascii_reader(object):
self.header_widget.setObjectName("header_widget")
self.verticalLayout_3.addWidget(self.header_widget)
self.groupBox = QtWidgets.QGroupBox(self.tabWidgetPage1)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Maximum)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.groupBox.sizePolicy().hasHeightForWidth())
self.groupBox.setSizePolicy(sizePolicy)
self.groupBox.setObjectName("groupBox")
self.gridLayout = QtWidgets.QGridLayout(self.groupBox)
self.gridLayout.setContentsMargins(3, 3, 3, 3)
self.gridLayout.setHorizontalSpacing(9)
self.gridLayout.setObjectName("gridLayout")
self.FID_radioButton = QtWidgets.QRadioButton(self.groupBox)
self.FID_radioButton.setAutoExclusive(True)
self.FID_radioButton.setObjectName("FID_radioButton")
self.buttonGroup = QtWidgets.QButtonGroup(ascii_reader)
self.buttonGroup.setObjectName("buttonGroup")
self.buttonGroup.addButton(self.FID_radioButton)
self.gridLayout.addWidget(self.FID_radioButton, 2, 1, 1, 1)
self.x_lineedit = QtWidgets.QLineEdit(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.x_lineedit.sizePolicy().hasHeightForWidth())
self.x_lineedit.setSizePolicy(sizePolicy)
self.x_lineedit.setInputMethodHints(QtCore.Qt.ImhFormattedNumbersOnly|QtCore.Qt.ImhPreferNumbers)
self.x_lineedit.setObjectName("x_lineedit")
self.gridLayout.addWidget(self.x_lineedit, 1, 3, 1, 1)
self.y_label = QtWidgets.QLabel(self.groupBox)
self.y_label.setObjectName("y_label")
self.gridLayout.addWidget(self.y_label, 2, 2, 1, 1)
self.pts_radioButton = QtWidgets.QRadioButton(self.groupBox)
self.pts_radioButton.setChecked(True)
self.pts_radioButton.setAutoExclusive(True)
self.pts_radioButton.setObjectName("pts_radioButton")
self.buttonGroup.addButton(self.pts_radioButton)
self.gridLayout.addWidget(self.pts_radioButton, 1, 1, 1, 1)
self.deltay_lineEdit = QtWidgets.QLineEdit(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.deltay_lineEdit.sizePolicy().hasHeightForWidth())
self.deltay_lineEdit.setSizePolicy(sizePolicy)
self.deltay_lineEdit.setObjectName("deltay_lineEdit")
self.gridLayout.addWidget(self.deltay_lineEdit, 3, 3, 1, 1)
self.label_5 = QtWidgets.QLabel(self.groupBox)
self.label_5.setObjectName("label_5")
self.gridLayout.addWidget(self.label_5, 3, 2, 1, 1)
self.horizontalLayout_4 = QtWidgets.QHBoxLayout(self.groupBox)
self.horizontalLayout_4.setContentsMargins(3, 3, 3, 3)
self.horizontalLayout_4.setObjectName("horizontalLayout_4")
self.verticalLayout_6 = QtWidgets.QVBoxLayout()
self.verticalLayout_6.setObjectName("verticalLayout_6")
self.column_checkBox = QtWidgets.QCheckBox(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Fixed)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Preferred)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.column_checkBox.sizePolicy().hasHeightForWidth())
self.column_checkBox.setSizePolicy(sizePolicy)
self.column_checkBox.setObjectName("column_checkBox")
self.gridLayout.addWidget(self.column_checkBox, 0, 0, 1, 1)
self.label = QtWidgets.QLabel(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Preferred)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.label.sizePolicy().hasHeightForWidth())
self.label.setSizePolicy(sizePolicy)
self.label.setObjectName("label")
self.gridLayout.addWidget(self.label, 0, 1, 1, 1)
self.label_7 = QtWidgets.QLabel(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Preferred)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.label_7.sizePolicy().hasHeightForWidth())
self.label_7.setSizePolicy(sizePolicy)
self.label_7.setObjectName("label_7")
self.gridLayout.addWidget(self.label_7, 0, 2, 1, 2)
self.y_lineedit = QtWidgets.QLineEdit(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.y_lineedit.sizePolicy().hasHeightForWidth())
self.y_lineedit.setSizePolicy(sizePolicy)
self.y_lineedit.setInputMethodHints(QtCore.Qt.ImhFormattedNumbersOnly|QtCore.Qt.ImhPreferNumbers)
self.y_lineedit.setObjectName("y_lineedit")
self.gridLayout.addWidget(self.y_lineedit, 2, 3, 1, 1)
self.spectrum_radioButton = QtWidgets.QRadioButton(self.groupBox)
self.spectrum_radioButton.setObjectName("spectrum_radioButton")
self.buttonGroup.addButton(self.spectrum_radioButton)
self.gridLayout.addWidget(self.spectrum_radioButton, 3, 1, 1, 1)
self.x_label = QtWidgets.QLabel(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Preferred)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.x_label.sizePolicy().hasHeightForWidth())
self.x_label.setSizePolicy(sizePolicy)
self.x_label.setObjectName("x_label")
self.gridLayout.addWidget(self.x_label, 1, 2, 1, 1)
self.verticalLayout_6.addWidget(self.column_checkBox)
self.line_spinBox = QtWidgets.QSpinBox(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
@ -122,17 +55,114 @@ class Ui_ascii_reader(object):
self.line_spinBox.setSizePolicy(sizePolicy)
self.line_spinBox.setMinimum(1)
self.line_spinBox.setObjectName("line_spinBox")
self.gridLayout.addWidget(self.line_spinBox, 1, 0, 1, 1)
self.verticalLayout_6.addWidget(self.line_spinBox)
self.label_6 = QtWidgets.QLabel(self.groupBox)
self.label_6.setObjectName("label_6")
self.verticalLayout_6.addWidget(self.label_6)
self.preview_spinBox = QtWidgets.QSpinBox(self.groupBox)
self.preview_spinBox.setMinimum(1)
self.preview_spinBox.setProperty("value", 10)
self.preview_spinBox.setObjectName("preview_spinBox")
self.gridLayout.addWidget(self.preview_spinBox, 3, 0, 1, 1)
self.label_6 = QtWidgets.QLabel(self.groupBox)
self.label_6.setObjectName("label_6")
self.gridLayout.addWidget(self.label_6, 2, 0, 1, 1)
self.verticalLayout_6.addWidget(self.preview_spinBox)
spacerItem = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_6.addItem(spacerItem)
self.horizontalLayout_4.addLayout(self.verticalLayout_6)
self.verticalLayout_5 = QtWidgets.QVBoxLayout()
self.verticalLayout_5.setObjectName("verticalLayout_5")
self.label = QtWidgets.QLabel(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Preferred)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.label.sizePolicy().hasHeightForWidth())
self.label.setSizePolicy(sizePolicy)
self.label.setObjectName("label")
self.verticalLayout_5.addWidget(self.label)
self.pts_radioButton = QtWidgets.QRadioButton(self.groupBox)
self.pts_radioButton.setChecked(True)
self.pts_radioButton.setAutoExclusive(True)
self.pts_radioButton.setObjectName("pts_radioButton")
self.buttonGroup = QtWidgets.QButtonGroup(ascii_reader)
self.buttonGroup.setObjectName("buttonGroup")
self.buttonGroup.addButton(self.pts_radioButton)
self.verticalLayout_5.addWidget(self.pts_radioButton)
self.dsc_radioButton = QtWidgets.QRadioButton(self.groupBox)
self.dsc_radioButton.setObjectName("dsc_radioButton")
self.buttonGroup.addButton(self.dsc_radioButton)
self.verticalLayout_5.addWidget(self.dsc_radioButton)
self.FID_radioButton = QtWidgets.QRadioButton(self.groupBox)
self.FID_radioButton.setAutoExclusive(True)
self.FID_radioButton.setObjectName("FID_radioButton")
self.buttonGroup.addButton(self.FID_radioButton)
self.verticalLayout_5.addWidget(self.FID_radioButton)
self.spectrum_radioButton = QtWidgets.QRadioButton(self.groupBox)
self.spectrum_radioButton.setObjectName("spectrum_radioButton")
self.buttonGroup.addButton(self.spectrum_radioButton)
self.verticalLayout_5.addWidget(self.spectrum_radioButton)
self.bds_radioButton = QtWidgets.QRadioButton(self.groupBox)
self.bds_radioButton.setObjectName("bds_radioButton")
self.buttonGroup.addButton(self.bds_radioButton)
self.verticalLayout_5.addWidget(self.bds_radioButton)
self.horizontalLayout_4.addLayout(self.verticalLayout_5)
self.gridLayout_2 = QtWidgets.QGridLayout()
self.gridLayout_2.setObjectName("gridLayout_2")
self.deltay_lineEdit = QtWidgets.QLineEdit(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.deltay_lineEdit.sizePolicy().hasHeightForWidth())
self.deltay_lineEdit.setSizePolicy(sizePolicy)
self.deltay_lineEdit.setObjectName("deltay_lineEdit")
self.gridLayout_2.addWidget(self.deltay_lineEdit, 3, 1, 1, 1)
self.label_7 = QtWidgets.QLabel(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Preferred)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.label_7.sizePolicy().hasHeightForWidth())
self.label_7.setSizePolicy(sizePolicy)
self.label_7.setObjectName("label_7")
self.gridLayout_2.addWidget(self.label_7, 0, 0, 1, 2)
self.y_lineedit = QtWidgets.QLineEdit(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.y_lineedit.sizePolicy().hasHeightForWidth())
self.y_lineedit.setSizePolicy(sizePolicy)
self.y_lineedit.setInputMethodHints(QtCore.Qt.ImhFormattedNumbersOnly|QtCore.Qt.ImhPreferNumbers)
self.y_lineedit.setObjectName("y_lineedit")
self.gridLayout_2.addWidget(self.y_lineedit, 2, 1, 1, 1)
self.y_label = QtWidgets.QLabel(self.groupBox)
self.y_label.setObjectName("y_label")
self.gridLayout_2.addWidget(self.y_label, 2, 0, 1, 1)
self.x_lineedit = QtWidgets.QLineEdit(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.x_lineedit.sizePolicy().hasHeightForWidth())
self.x_lineedit.setSizePolicy(sizePolicy)
self.x_lineedit.setInputMethodHints(QtCore.Qt.ImhFormattedNumbersOnly|QtCore.Qt.ImhPreferNumbers)
self.x_lineedit.setObjectName("x_lineedit")
self.gridLayout_2.addWidget(self.x_lineedit, 1, 1, 1, 1)
self.label_5 = QtWidgets.QLabel(self.groupBox)
self.label_5.setObjectName("label_5")
self.gridLayout_2.addWidget(self.label_5, 3, 0, 1, 1)
self.x_label = QtWidgets.QLabel(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Preferred)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.x_label.sizePolicy().hasHeightForWidth())
self.x_label.setSizePolicy(sizePolicy)
self.x_label.setObjectName("x_label")
self.gridLayout_2.addWidget(self.x_label, 1, 0, 1, 1)
spacerItem1 = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.gridLayout_2.addItem(spacerItem1, 4, 1, 1, 1)
self.horizontalLayout_4.addLayout(self.gridLayout_2)
self.verticalLayout_3.addWidget(self.groupBox)
self.groupBox_2 = QtWidgets.QGroupBox(self.tabWidgetPage1)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.MinimumExpanding)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.groupBox_2.sizePolicy().hasHeightForWidth())
self.groupBox_2.setSizePolicy(sizePolicy)
self.groupBox_2.setObjectName("groupBox_2")
self.verticalLayout_2 = QtWidgets.QVBoxLayout(self.groupBox_2)
self.verticalLayout_2.setContentsMargins(3, 3, 3, 3)
@ -215,24 +245,24 @@ class Ui_ascii_reader(object):
self.pushButton.setSizePolicy(sizePolicy)
self.pushButton.setObjectName("pushButton")
self.formLayout.setWidget(5, QtWidgets.QFormLayout.FieldRole, self.pushButton)
spacerItem = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.formLayout.setItem(6, QtWidgets.QFormLayout.FieldRole, spacerItem)
spacerItem2 = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.formLayout.setItem(6, QtWidgets.QFormLayout.FieldRole, spacerItem2)
self.horizontalLayout_3.addLayout(self.formLayout)
self.tabWidget.addTab(self.tabWidgetPage2, "")
self.verticalLayout.addWidget(self.tabWidget)
self.horizontalLayout = QtWidgets.QHBoxLayout()
self.horizontalLayout.setObjectName("horizontalLayout")
spacerItem1 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout.addItem(spacerItem1)
spacerItem3 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout.addItem(spacerItem3)
self.verticalLayout.addLayout(self.horizontalLayout)
self.horizontalLayout_2 = QtWidgets.QHBoxLayout()
self.horizontalLayout_2.setContentsMargins(-1, 0, -1, -1)
self.horizontalLayout_2.setObjectName("horizontalLayout_2")
spacerItem4 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_2.addItem(spacerItem4)
self.skippy_checkbox = QtWidgets.QCheckBox(ascii_reader)
self.skippy_checkbox.setObjectName("skippy_checkbox")
self.horizontalLayout_2.addWidget(self.skippy_checkbox)
spacerItem2 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_2.addItem(spacerItem2)
self.verticalLayout.addLayout(self.horizontalLayout_2)
self.buttonbox = QtWidgets.QDialogButtonBox(ascii_reader)
self.buttonbox.setStandardButtons(QtWidgets.QDialogButtonBox.Apply|QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok)
@ -243,18 +273,8 @@ class Ui_ascii_reader(object):
self.tabWidget.setCurrentIndex(0)
self.buttonbox.rejected.connect(ascii_reader.close) # type: ignore
QtCore.QMetaObject.connectSlotsByName(ascii_reader)
ascii_reader.setTabOrder(self.tabWidget, self.column_checkBox)
ascii_reader.setTabOrder(self.column_checkBox, self.line_spinBox)
ascii_reader.setTabOrder(self.line_spinBox, self.preview_spinBox)
ascii_reader.setTabOrder(self.preview_spinBox, self.pts_radioButton)
ascii_reader.setTabOrder(self.pts_radioButton, self.FID_radioButton)
ascii_reader.setTabOrder(self.FID_radioButton, self.spectrum_radioButton)
ascii_reader.setTabOrder(self.spectrum_radioButton, self.x_lineedit)
ascii_reader.setTabOrder(self.x_lineedit, self.y_lineedit)
ascii_reader.setTabOrder(self.y_lineedit, self.deltay_lineEdit)
ascii_reader.setTabOrder(self.deltay_lineEdit, self.ascii_table)
ascii_reader.setTabOrder(self.ascii_table, self.skippy_checkbox)
ascii_reader.setTabOrder(self.skippy_checkbox, self.delay_textfield)
ascii_reader.setTabOrder(self.tabWidget, self.ascii_table)
ascii_reader.setTabOrder(self.ascii_table, self.delay_textfield)
ascii_reader.setTabOrder(self.delay_textfield, self.delay_lineedit)
ascii_reader.setTabOrder(self.delay_lineedit, self.start_lineedit)
ascii_reader.setTabOrder(self.start_lineedit, self.end_lineedit)
@ -267,19 +287,21 @@ class Ui_ascii_reader(object):
_translate = QtCore.QCoreApplication.translate
ascii_reader.setWindowTitle(_translate("ascii_reader", "Read text file"))
self.groupBox.setTitle(_translate("ascii_reader", "Options"))
self.FID_radioButton.setText(_translate("ascii_reader", "FID"))
self.x_lineedit.setToolTip(_translate("ascii_reader", "<html><head/><body><p>Specify which column is used as x-value.</p></body></html>"))
self.y_label.setText(_translate("ascii_reader", "y"))
self.pts_radioButton.setText(_translate("ascii_reader", "Points"))
self.label_5.setText(_translate("ascii_reader", "<html><head/><body><p>Δy</p></body></html>"))
self.column_checkBox.setText(_translate("ascii_reader", "Column name"))
self.label.setText(_translate("ascii_reader", "Import as"))
self.label_7.setText(_translate("ascii_reader", "Use columns as"))
self.y_lineedit.setToolTip(_translate("ascii_reader", "<html><head/><body><p>Specify which columns are read for y-values. (\'Points\': Every number creates a new data set;\'FID\'/\'Spectrum\': Numbers at even positions are used for real parts, at odd positions for imaginary parts.)</p></body></html>"))
self.spectrum_radioButton.setText(_translate("ascii_reader", "Spectrum"))
self.x_label.setText(_translate("ascii_reader", "x"))
self.line_spinBox.setPrefix(_translate("ascii_reader", "header line "))
self.label_6.setText(_translate("ascii_reader", "Preview length"))
self.label.setText(_translate("ascii_reader", "Import as"))
self.pts_radioButton.setText(_translate("ascii_reader", "Points"))
self.dsc_radioButton.setText(_translate("ascii_reader", "DSC"))
self.FID_radioButton.setText(_translate("ascii_reader", "FID"))
self.spectrum_radioButton.setText(_translate("ascii_reader", "Spectrum"))
self.bds_radioButton.setText(_translate("ascii_reader", "BDS"))
self.label_7.setText(_translate("ascii_reader", "Use columns as"))
self.y_lineedit.setToolTip(_translate("ascii_reader", "<html><head/><body><p>Specify which columns are read for y-values. (\'Points\': Every number creates a new data set;\'FID\'/\'Spectrum\': Numbers at even positions are used for real parts, at odd positions for imaginary parts.)</p></body></html>"))
self.y_label.setText(_translate("ascii_reader", "y"))
self.x_lineedit.setToolTip(_translate("ascii_reader", "<html><head/><body><p>Specify which column is used as x-value.</p></body></html>"))
self.label_5.setText(_translate("ascii_reader", "<html><head/><body><p>Δy</p></body></html>"))
self.x_label.setText(_translate("ascii_reader", "x"))
self.groupBox_2.setTitle(_translate("ascii_reader", "Preview"))
self.tabWidget.setTabText(self.tabWidget.indexOf(self.tabWidgetPage1), _translate("ascii_reader", "Data"))
self.label_2.setText(_translate("ascii_reader", "Number of delays"))

View File

@ -2,7 +2,7 @@
# Form implementation generated from reading ui file 'src/resources/_ui/basewindow.ui'
#
# Created by: PyQt5 UI code generator 5.15.2
# Created by: PyQt5 UI code generator 5.15.9
#
# WARNING: Any manual changes made to this file will be lost when pyuic5 is
# run again. Do not edit this file unless you know what you are doing.
@ -64,6 +64,9 @@ class Ui_BaseWindow(object):
icon5 = QtGui.QIcon()
icon5.addPixmap(QtGui.QPixmap(":/eval_t1_dock"), QtGui.QIcon.Normal, QtGui.QIcon.Off)
self.tabWidget.addTab(self.t1tauwidget, icon5, "")
self.drawingswidget = DrawingsWidget()
self.drawingswidget.setObjectName("drawingswidget")
self.tabWidget.addTab(self.drawingswidget, "")
self.integralwidget = IntegralWidget()
self.integralwidget.setObjectName("integralwidget")
self.tabWidget.addTab(self.integralwidget, "")
@ -72,7 +75,7 @@ class Ui_BaseWindow(object):
self.horizontalLayout.addWidget(self.splitter)
BaseWindow.setCentralWidget(self.centralwidget)
self.menubar = QtWidgets.QMenuBar(BaseWindow)
self.menubar.setGeometry(QtCore.QRect(0, 0, 1386, 22))
self.menubar.setGeometry(QtCore.QRect(0, 0, 1386, 20))
self.menubar.setObjectName("menubar")
self.menuFile = QtWidgets.QMenu(self.menubar)
self.menuFile.setObjectName("menuFile")
@ -114,6 +117,8 @@ class Ui_BaseWindow(object):
self.menuStuff = QtWidgets.QMenu(self.menubar)
self.menuStuff.setTitle("")
self.menuStuff.setObjectName("menuStuff")
self.menuDSC = QtWidgets.QMenu(self.menubar)
self.menuDSC.setObjectName("menuDSC")
BaseWindow.setMenuBar(self.menubar)
self.toolBar = QtWidgets.QToolBar(BaseWindow)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Fixed)
@ -353,6 +358,8 @@ class Ui_BaseWindow(object):
self.actionUpdate.setObjectName("actionUpdate")
self.actionMine = QtWidgets.QAction(BaseWindow)
self.actionMine.setObjectName("actionMine")
self.action_draw_object = QtWidgets.QAction(BaseWindow)
self.action_draw_object.setObjectName("action_draw_object")
self.actionBugs = QtWidgets.QAction(BaseWindow)
self.actionBugs.setObjectName("actionBugs")
self.actionShow_error_log = QtWidgets.QAction(BaseWindow)
@ -361,6 +368,10 @@ class Ui_BaseWindow(object):
self.actionCreate_starter.setObjectName("actionCreate_starter")
self.actionAbout = QtWidgets.QAction(BaseWindow)
self.actionAbout.setObjectName("actionAbout")
self.actionTNMH_model = QtWidgets.QAction(BaseWindow)
self.actionTNMH_model.setObjectName("actionTNMH_model")
self.actionBinning = QtWidgets.QAction(BaseWindow)
self.actionBinning.setObjectName("actionBinning")
self.menuSave.addAction(self.actionSave)
self.menuSave.addAction(self.actionExportGraphic)
self.menuSave.addAction(self.action_save_fit_parameter)
@ -404,6 +415,7 @@ class Ui_BaseWindow(object):
self.menuExtra.addSeparator()
self.menuExtra.addAction(self.menuNormalize.menuAction())
self.menuExtra.addAction(self.actionInterpolation)
self.menuExtra.addAction(self.actionBinning)
self.menuExtra.addAction(self.actionRunning_values)
self.menuExtra.addAction(self.actionShift)
self.menuExtra.addSeparator()
@ -441,6 +453,7 @@ class Ui_BaseWindow(object):
self.menuWindow.addSeparator()
self.menuWindow.addAction(self.actionRefresh)
self.menuWindow.addSeparator()
self.menuWindow.addAction(self.action_draw_object)
self.menuNMR.addAction(self.t1action)
self.menuNMR.addAction(self.actionCalculateT1)
self.menuNMR.addAction(self.action_coup_calc)
@ -456,6 +469,7 @@ class Ui_BaseWindow(object):
self.menuStuff.addAction(self.actionLife)
self.menuStuff.addAction(self.actionTetris)
self.menuStuff.addAction(self.actionMine)
self.menuDSC.addAction(self.actionTNMH_model)
self.menubar.addAction(self.menuFile.menuAction())
self.menubar.addAction(self.menuWindow.menuAction())
self.menubar.addAction(self.menuData.menuAction())
@ -464,6 +478,7 @@ class Ui_BaseWindow(object):
self.menubar.addAction(self.menuFit.menuAction())
self.menubar.addAction(self.menuNMR.menuAction())
self.menubar.addAction(self.menuBDS.menuAction())
self.menubar.addAction(self.menuDSC.menuAction())
self.menubar.addAction(self.menuOptions.menuAction())
self.menubar.addAction(self.menuHelp.menuAction())
self.menubar.addAction(self.menuStuff.menuAction())
@ -487,7 +502,7 @@ class Ui_BaseWindow(object):
self.retranslateUi(BaseWindow)
self.tabWidget.setCurrentIndex(0)
self.action_close.triggered.connect(BaseWindow.close)
self.action_close.triggered.connect(BaseWindow.close) # type: ignore
QtCore.QMetaObject.connectSlotsByName(BaseWindow)
def retranslateUi(self, BaseWindow):
@ -499,6 +514,7 @@ class Ui_BaseWindow(object):
self.tabWidget.setTabText(self.tabWidget.indexOf(self.editsignalwidget), _translate("BaseWindow", "Signals"))
self.tabWidget.setTabText(self.tabWidget.indexOf(self.ptsselectwidget), _translate("BaseWindow", "Pick points"))
self.tabWidget.setTabText(self.tabWidget.indexOf(self.t1tauwidget), _translate("BaseWindow", "SLR"))
self.tabWidget.setTabText(self.tabWidget.indexOf(self.drawingswidget), _translate("BaseWindow", "Drawings"))
self.tabWidget.setTabText(self.tabWidget.indexOf(self.integralwidget), _translate("BaseWindow", "Integrate"))
self.menuFile.setTitle(_translate("BaseWindow", "&File"))
self.menuSave.setTitle(_translate("BaseWindow", "&Save..."))
@ -515,6 +531,7 @@ class Ui_BaseWindow(object):
self.menuNMR.setTitle(_translate("BaseWindow", "NMR"))
self.menuBDS.setTitle(_translate("BaseWindow", "BDS"))
self.menuSpectrum.setTitle(_translate("BaseWindow", "Spectrum"))
self.menuDSC.setTitle(_translate("BaseWindow", "DSC"))
self.toolBar.setWindowTitle(_translate("BaseWindow", "Main"))
self.toolbar_edit.setWindowTitle(_translate("BaseWindow", "Math"))
self.toolBar_nmr.setWindowTitle(_translate("BaseWindow", "NMR"))
@ -567,6 +584,7 @@ class Ui_BaseWindow(object):
self.actionFit_parameter_saving.setText(_translate("BaseWindow", "Fit parameter saving..."))
self.actionShow_fit_parameter.setText(_translate("BaseWindow", "Parameter..."))
self.actionSkip_points.setText(_translate("BaseWindow", "Skip points..."))
self.actionGuide_lines.setText(_translate("BaseWindow", "Draw lines..."))
self.actionMaximize.setText(_translate("BaseWindow", "Maximize"))
self.actionTile.setText(_translate("BaseWindow", "Tile windows"))
self.actionTileVertical.setText(_translate("BaseWindow", "Tile windows vertically"))
@ -614,15 +632,19 @@ class Ui_BaseWindow(object):
self.actionTetris.setText(_translate("BaseWindow", "Not Tetris"))
self.actionUpdate.setText(_translate("BaseWindow", "Look for updates"))
self.actionMine.setText(_translate("BaseWindow", "Mine"))
self.action_draw_object.setText(_translate("BaseWindow", "Draw objects..."))
self.actionBugs.setText(_translate("BaseWindow", "Bugs! Problems! Wishes!"))
self.actionShow_error_log.setText(_translate("BaseWindow", "Show error log"))
self.actionCreate_starter.setText(_translate("BaseWindow", "Create starter.."))
self.actionAbout.setText(_translate("BaseWindow", "About..."))
self.actionTNMH_model.setText(_translate("BaseWindow", "Tg determination,,,"))
self.actionBinning.setText(_translate("BaseWindow", "Binning..."))
from ..data.datawidget.datawidget import DataWidget
from ..data.integral_widget import IntegralWidget
from ..data.point_select import PointSelectWidget
from ..data.signaledit.editsignalwidget import EditSignalWidget
from ..data.valueeditwidget import ValueEditWidget
from ..fit.fitwindow import QFitDialog
from ..graphs.drawings import DrawingsWidget
from ..lib.mdiarea import MdiAreaTile
from ..nmr.t1widget import QT1Widget

View File

@ -0,0 +1,190 @@
# -*- coding: utf-8 -*-
# Form implementation generated from reading ui file 'src/resources/_ui/tnmh_dialog.ui'
#
# Created by: PyQt5 UI code generator 5.15.9
#
# WARNING: Any manual changes made to this file will be lost when pyuic5 is
# run again. Do not edit this file unless you know what you are doing.
from PyQt5 import QtCore, QtGui, QtWidgets
class Ui_Dialog(object):
def setupUi(self, Dialog):
Dialog.setObjectName("Dialog")
Dialog.resize(1042, 683)
self.gridLayout = QtWidgets.QGridLayout(Dialog)
self.gridLayout.setObjectName("gridLayout")
self.buttonBox = QtWidgets.QDialogButtonBox(Dialog)
self.buttonBox.setOrientation(QtCore.Qt.Horizontal)
self.buttonBox.setStandardButtons(QtWidgets.QDialogButtonBox.Close|QtWidgets.QDialogButtonBox.Save)
self.buttonBox.setObjectName("buttonBox")
self.gridLayout.addWidget(self.buttonBox, 5, 1, 1, 1)
self.verticalLayout = QtWidgets.QVBoxLayout()
self.verticalLayout.setObjectName("verticalLayout")
self.listWidget = QtWidgets.QListWidget(Dialog)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Expanding)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.listWidget.sizePolicy().hasHeightForWidth())
self.listWidget.setSizePolicy(sizePolicy)
self.listWidget.setObjectName("listWidget")
self.verticalLayout.addWidget(self.listWidget)
self.label = QtWidgets.QLabel(Dialog)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Maximum)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.label.sizePolicy().hasHeightForWidth())
self.label.setSizePolicy(sizePolicy)
self.label.setAlignment(QtCore.Qt.AlignLeading|QtCore.Qt.AlignLeft|QtCore.Qt.AlignTop)
self.label.setObjectName("label")
self.verticalLayout.addWidget(self.label)
self.tg_value_label = QtWidgets.QLabel(Dialog)
self.tg_value_label.setText("")
self.tg_value_label.setObjectName("tg_value_label")
self.verticalLayout.addWidget(self.tg_value_label)
self.label_4 = QtWidgets.QLabel(Dialog)
self.label_4.setObjectName("label_4")
self.verticalLayout.addWidget(self.label_4)
self.label_5 = QtWidgets.QLabel(Dialog)
self.label_5.setText("")
self.label_5.setObjectName("label_5")
self.verticalLayout.addWidget(self.label_5)
self.gridLayout.addLayout(self.verticalLayout, 0, 0, 5, 1)
self.stackedWidget = QtWidgets.QStackedWidget(Dialog)
self.stackedWidget.setFrameShape(QtWidgets.QFrame.StyledPanel)
self.stackedWidget.setFrameShadow(QtWidgets.QFrame.Raised)
self.stackedWidget.setObjectName("stackedWidget")
self.stackedWidgetPage1 = QtWidgets.QWidget()
self.stackedWidgetPage1.setObjectName("stackedWidgetPage1")
self.gridLayout_3 = QtWidgets.QGridLayout(self.stackedWidgetPage1)
self.gridLayout_3.setObjectName("gridLayout_3")
self.hodge_selection = CheckCombobox(self.stackedWidgetPage1)
self.hodge_selection.setObjectName("hodge_selection")
self.hodge_selection.addItem("")
self.hodge_selection.addItem("")
self.hodge_selection.addItem("")
self.hodge_selection.addItem("")
self.gridLayout_3.addWidget(self.hodge_selection, 4, 2, 1, 1)
self.tau_plot = PlotWidget(self.stackedWidgetPage1)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.MinimumExpanding)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.tau_plot.sizePolicy().hasHeightForWidth())
self.tau_plot.setSizePolicy(sizePolicy)
self.tau_plot.setObjectName("tau_plot")
self.gridLayout_3.addWidget(self.tau_plot, 0, 0, 7, 1)
self.tg_export_check = QtWidgets.QCheckBox(self.stackedWidgetPage1)
self.tg_export_check.setChecked(True)
self.tg_export_check.setObjectName("tg_export_check")
self.gridLayout_3.addWidget(self.tg_export_check, 2, 1, 1, 1)
self.tglines_export_check = QtWidgets.QCheckBox(self.stackedWidgetPage1)
self.tglines_export_check.setChecked(True)
self.tglines_export_check.setObjectName("tglines_export_check")
self.gridLayout_3.addWidget(self.tglines_export_check, 2, 2, 1, 1)
spacerItem = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.gridLayout_3.addItem(spacerItem, 6, 2, 1, 1)
self.new_graph_tau_combo = QtWidgets.QComboBox(self.stackedWidgetPage1)
self.new_graph_tau_combo.setObjectName("new_graph_tau_combo")
self.gridLayout_3.addWidget(self.new_graph_tau_combo, 5, 2, 1, 1)
self.label_6 = QtWidgets.QLabel(self.stackedWidgetPage1)
self.label_6.setObjectName("label_6")
self.gridLayout_3.addWidget(self.label_6, 4, 1, 1, 1)
self.new_graph_tau_check = QtWidgets.QCheckBox(self.stackedWidgetPage1)
self.new_graph_tau_check.setChecked(True)
self.new_graph_tau_check.setObjectName("new_graph_tau_check")
self.gridLayout_3.addWidget(self.new_graph_tau_check, 5, 1, 1, 1)
self.line = QtWidgets.QFrame(self.stackedWidgetPage1)
self.line.setFrameShape(QtWidgets.QFrame.HLine)
self.line.setFrameShadow(QtWidgets.QFrame.Sunken)
self.line.setObjectName("line")
self.gridLayout_3.addWidget(self.line, 3, 1, 1, 2)
self.stackedWidget.addWidget(self.stackedWidgetPage1)
self.page = QtWidgets.QWidget()
self.page.setObjectName("page")
self.gridLayout_2 = QtWidgets.QGridLayout(self.page)
self.gridLayout_2.setObjectName("gridLayout_2")
self.horizontalLayout = QtWidgets.QHBoxLayout()
self.horizontalLayout.setObjectName("horizontalLayout")
self.label_2 = QtWidgets.QLabel(self.page)
self.label_2.setObjectName("label_2")
self.horizontalLayout.addWidget(self.label_2)
self.comboBox = QtWidgets.QComboBox(self.page)
self.comboBox.setObjectName("comboBox")
self.comboBox.addItem("")
self.comboBox.addItem("")
self.comboBox.addItem("")
self.comboBox.addItem("")
self.comboBox.addItem("")
self.horizontalLayout.addWidget(self.comboBox)
self.gridLayout_2.addLayout(self.horizontalLayout, 1, 1, 1, 1)
self.pushButton_3 = QtWidgets.QPushButton(self.page)
self.pushButton_3.setObjectName("pushButton_3")
self.gridLayout_2.addWidget(self.pushButton_3, 2, 1, 1, 1)
self.graphicsView_2 = PlotWidget(self.page)
self.graphicsView_2.setObjectName("graphicsView_2")
self.gridLayout_2.addWidget(self.graphicsView_2, 0, 0, 3, 1)
self.stackedWidget.addWidget(self.page)
self.gridLayout.addWidget(self.stackedWidget, 4, 1, 1, 1)
self.dsc_plot = PlotWidget(Dialog)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.MinimumExpanding)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.dsc_plot.sizePolicy().hasHeightForWidth())
self.dsc_plot.setSizePolicy(sizePolicy)
self.dsc_plot.setObjectName("dsc_plot")
self.gridLayout.addWidget(self.dsc_plot, 0, 1, 1, 1)
self.horizontalLayout_2 = QtWidgets.QHBoxLayout()
self.horizontalLayout_2.setObjectName("horizontalLayout_2")
self.calctg_button = QtWidgets.QPushButton(Dialog)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.calctg_button.sizePolicy().hasHeightForWidth())
self.calctg_button.setSizePolicy(sizePolicy)
self.calctg_button.setObjectName("calctg_button")
self.horizontalLayout_2.addWidget(self.calctg_button)
self.pushButton_2 = QtWidgets.QPushButton(Dialog)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.pushButton_2.sizePolicy().hasHeightForWidth())
self.pushButton_2.setSizePolicy(sizePolicy)
self.pushButton_2.setObjectName("pushButton_2")
self.horizontalLayout_2.addWidget(self.pushButton_2)
spacerItem1 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_2.addItem(spacerItem1)
self.gridLayout.addLayout(self.horizontalLayout_2, 2, 1, 1, 1)
self.retranslateUi(Dialog)
self.stackedWidget.setCurrentIndex(0)
self.buttonBox.accepted.connect(Dialog.accept) # type: ignore
self.buttonBox.rejected.connect(Dialog.reject) # type: ignore
QtCore.QMetaObject.connectSlotsByName(Dialog)
def retranslateUi(self, Dialog):
_translate = QtCore.QCoreApplication.translate
Dialog.setWindowTitle(_translate("Dialog", "SImba, everything the light touches is our kingdom"))
self.label.setText(_translate("Dialog", "<html><head/><body><p><span style=\" font-weight:600;\">Tg values:</span></p></body></html>"))
self.label_4.setText(_translate("Dialog", "<html><head/><body><p><span style=\" font-weight:600;\">TNMH parameter:</span></p></body></html>"))
self.hodge_selection.setItemText(0, _translate("Dialog", "Onset"))
self.hodge_selection.setItemText(1, _translate("Dialog", "Midpoint"))
self.hodge_selection.setItemText(2, _translate("Dialog", "End"))
self.hodge_selection.setItemText(3, _translate("Dialog", "Inflection"))
self.tg_export_check.setText(_translate("Dialog", "Export Tg"))
self.tglines_export_check.setText(_translate("Dialog", "Export lines"))
self.label_6.setText(_translate("Dialog", "Hodge:"))
self.new_graph_tau_check.setText(_translate("Dialog", "New graph"))
self.label_2.setText(_translate("Dialog", "Tg for TNMH"))
self.comboBox.setItemText(0, _translate("Dialog", "Fictive"))
self.comboBox.setItemText(1, _translate("Dialog", "Onset"))
self.comboBox.setItemText(2, _translate("Dialog", "Midpoint"))
self.comboBox.setItemText(3, _translate("Dialog", "End"))
self.comboBox.setItemText(4, _translate("Dialog", "Inflection"))
self.pushButton_3.setText(_translate("Dialog", "Fit TNMH model"))
self.calctg_button.setText(_translate("Dialog", "Calculate Tg"))
self.pushButton_2.setText(_translate("Dialog", "Calculate fictive Cp"))
from ..lib.forms import CheckCombobox
from pyqtgraph import PlotWidget

View File

@ -317,7 +317,7 @@ class ExperimentContainer(QtCore.QObject):
if mode in ['imag', 'all'] and self.plot_imag is not None:
self.plot_imag.set_color(color, symbol=symbol, line=line)
def setSymbol(self, symbol=None, color=None, size=None, mode='real'):
def setSymbol(self, *, symbol=None, color=None, size=None, mode='real'):
if mode in ['real', 'all']:
self.plot_real.set_symbol(symbol=symbol, size=size, color=color)
if color is not None and self.plot_error is not None and self.plot_real.symbol != SymbolStyle.No:
@ -329,7 +329,7 @@ class ExperimentContainer(QtCore.QObject):
else:
print('Updating symbol failed for ' + str(self.id))
def setLine(self, width=None, style=None, color=None, mode='real'):
def setLine(self, *, width=None, style=None, color=None, mode='real'):
if mode in ['real', 'all']:
self.plot_real.set_line(width=width, style=style, color=color)
if color is not None and self.plot_error is not None and self.plot_real.symbol == SymbolStyle.No:
@ -480,6 +480,12 @@ class ExperimentContainer(QtCore.QObject):
return new_data
def binning(self, digits: float):
new_data = self.copy(full=True)
new_data.data = self._data.binning(value=digits)
return new_data
class PointContainer(ExperimentContainer):
symbols = symbolcycle()

View File

@ -0,0 +1,299 @@
import pprint
from itertools import cycle
from numpy import array, nan, isnan
from pyqtgraph import mkPen, mkBrush, LegendItem
from nmreval.dsc.hodge import tau_hodge
from nmreval.lib.colors import Tab10
from ..Qt import QtWidgets, QtCore
from .._py.tnmh_dialog import Ui_Dialog
from ..lib.pg_objects import PlotItem, RegionItem
from nmreval.data import DSC, Points
class TgCalculator(QtWidgets.QDialog, Ui_Dialog):
newTg = QtCore.pyqtSignal(dict, list, str)
def __init__(self, management, parent=None):
super().__init__(parent=parent)
self.setupUi(self)
self._management = management
self._colors = cycle(Tab10)
self._dsc = {}
self._plots = {}
self._tg_value = {}
self._fit = {}
self._lines = {}
self._hodge = {
'onset': (PlotItem(x=[], y=[], pen=None, symbol='o', symbolBrush=Tab10.TabBlue.rgb(), name='Onset'), None),
'midpoint': (PlotItem(x=[], y=[], pen=None, symbol='s', symbolBrush=Tab10.TabOrange.rgb(), name='Midpoint'), None),
'end': (PlotItem(x=[], y=[], pen=None, symbol='t', symbolBrush=Tab10.TabGreen.rgb(), name='End'), None),
'inflection': (PlotItem(x=[], y=[], pen=None, symbol='d', symbolBrush=Tab10.TabRed.rgb(), name='Inflection'), None),
# 'fictive': PlotItem(x=[], y=[], pen=None, symbol='t1', symbolBrush=Tab10.TabPurple.rgb(), name='Fictive'),
# 'TNMH': PlotItem(x=[], y=[], pen=None, symbol='star', symbolBrush=Tab10.TabPurple.rgb(), name='TNMH'),
}
self.tau_plot.getPlotItem().addLegend()
for plt, _ in self._hodge.values():
self.tau_plot.addItem(plt)
self.tau_plot.setLogMode(y=True)
self.pushButton_2.hide()
self.label_4.hide()
self.label_5.hide()
self.limits = RegionItem(), RegionItem()
for lim in self.limits:
self.dsc_plot.addItem(lim)
self._limitless = True
self.add_sets()
self.listWidget.itemClicked.connect(self.show_tg_values)
self.new_graph_tau_combo.setEnabled(False)
self.new_graph_tau_check.stateChanged.connect(lambda state: self.new_graph_tau_combo.setEnabled(not bool(state)))
def __call__(self):
self.clear()
self._colors = cycle(Tab10)
self.add_sets()
return self
def clear(self):
self.listWidget.clear()
for plots in self._plots.values():
for val in plots:
self.dsc_plot.removeItem(val)
self.graphicsView_2.removeItem(val)
for key, plt in self._hodge.items():
plt[0].setData(x=[], y=[])
self._hodge[key] = (plt[0], None)
self._dsc = {}
self._plots = {}
self._tg_value = {}
self._lines = {}
self._fit = {}
def add_sets(self):
self.new_graph_tau_combo.clear()
for graphs in self._management.graphs.list():
self.new_graph_tau_combo.addItem(graphs[1], userData=graphs[0])
min_x = 10_000_000
max_x = -10_000_000
for (key, name), c in zip(self._management.active_sets, self._colors):
data = self._management[key].data
if not isinstance(data, DSC):
continue
min_x = min(min_x, data.x.min())
max_x = max(max_x, data.x.max())
item = QtWidgets.QListWidgetItem(name)
item.setCheckState(QtCore.Qt.Checked)
item.setData(QtCore.Qt.UserRole, key)
item.setForeground(mkBrush(c.rgb()))
self.listWidget.addItem(item)
self._dsc[key] = (data, None)
data_plot = PlotItem(x=data.x, y=data.y, pen=mkPen(c.rgb()))
self.dsc_plot.addItem(data_plot)
glass = PlotItem()
glass.set_line(style=2, color=c)
self.dsc_plot.addItem(glass)
liquid = PlotItem()
liquid.set_line(style=2, color=c)
self.dsc_plot.addItem(liquid)
tangent = PlotItem()
tangent.set_line(style=2, color=c)
self.dsc_plot.addItem(tangent)
tg_plot = PlotItem(pen=None, symbolBrush=c.rgb(), symbol='o')
self.dsc_plot.addItem(tg_plot)
fictive_cp = PlotItem(pen=mkPen(c.rgb()))
self.graphicsView_2.addItem(fictive_cp)
tnmh_fit = PlotItem()
tnmh_fit.set_line(style=2, color=c)
self.graphicsView_2.addItem(tnmh_fit)
self._plots[key] = (data_plot, tg_plot, glass, liquid, tangent, fictive_cp, tnmh_fit)
self._tg_value[key] = {'onset': (nan, nan), 'mid': (nan, nan), 'end': (nan, nan), 'inflection': (nan, nan)} # , 'fictive': (nan, nan)}
if self._limitless:
dist = max_x - min_x
self.limits[0].setRegion((min_x, min_x+min(0.1*dist, 5)))
self.limits[1].setRegion((max_x-min(5, 0.1*dist), max_x))
self._limitless = False
@QtCore.pyqtSlot(name='on_calctg_button_clicked')
def calc_tg(self):
baselines = tuple(lim.getRegion() for lim in self.limits)
if baselines[0][0] > baselines[1][0]:
baselines = baselines[1], baselines[0]
for idx in range(self.listWidget.count()):
item = self.listWidget.item(idx)
if item.checkState() == QtCore.Qt.Unchecked:
continue
key = item.data(QtCore.Qt.UserRole)
plot = self._plots[key]
data, _ = self._dsc[key]
tg_results, glass, liquid, tangent = data.glass_transition(*baselines)
self._lines[key] = (glass, liquid, tangent)
for i, line in enumerate((glass, liquid, tangent)):
plot[i+2].setData(x=line.x, y=line.y)
self._tg_value[key].update(tg_results)
self._update_tg_plots()
def show_tg_values(self, item):
values = self._tg_value.get(item.data(QtCore.Qt.UserRole))
if values is not None:
label = '\n'.join((f'{name.capitalize()}: {pos[0]:.2f} K' for name, pos in values.items()))
self.tg_value_label.setText(label)
fit = self._fit.get(item.data(QtCore.Qt.UserRole))
if fit is not None:
self.label_5.setText(fit._parameter_string())
def _update_tg_plots(self):
for idx in range(self.listWidget.count()):
item = self.listWidget.item(idx)
key = item.data(QtCore.Qt.UserRole)
plot = self._plots[key]
data, _ = self._dsc[key]
plot[1].setData(array(list(self._tg_value[key].values())))
self.hodge()
@QtCore.pyqtSlot(QtWidgets.QListWidgetItem, name='on_listWidget_itemChanged')
def change_visibility(self, item: QtWidgets.QListWidgetItem):
is_checked = bool(item.checkState())
plot = self._plots[item.data(QtCore.Qt.UserRole)]
for val in plot:
val.setVisible(is_checked)
@QtCore.pyqtSlot(name='on_pushButton_2_clicked')
def get_fictive(self):
baselines = tuple(lim.getRegion() for lim in self.limits)
if baselines[0][0] > baselines[1][0]:
baselines = baselines[1], baselines[0]
for idx in range(self.listWidget.count()):
item = self.listWidget.item(idx)
if item.checkState() == QtCore.Qt.Unchecked:
continue
key = item.data(QtCore.Qt.UserRole)
plot = self._plots[key]
data, _ = self._dsc[key]
cp, tg = data.get_fictive_cp(*baselines)
plot[5].setData(cp.x, cp.y)
self._dsc[key] = (data, cp)
self._tg_value[key]['fictive'] = (tg, 0)
self._update_tg_plots()
@QtCore.pyqtSlot(name='on_pushButton_3_clicked')
def make_tnmh(self):
baselines = tuple(lim.getRegion() for lim in self.limits)
if baselines[0][0] > baselines[1][0]:
baselines = baselines[1], baselines[0]
for idx in range(self.listWidget.count()):
item = self.listWidget.item(idx)
if item.checkState() == QtCore.Qt.Unchecked:
continue
key = item.data(QtCore.Qt.UserRole)
plot = self._plots[key]
_, data = self._dsc[key]
if data is None:
continue
res = data.calculate_tnmh([60, 0.5, 1, 2e5], *baselines, return_fictive=False)
self._fit[key] = res
plot[-1].setData(res.x, res.y)
def hodge(self):
for tg_type, (plot, data) in self._hodge.items():
m = []
for idx in range(self.listWidget.count()):
item = self.listWidget.item(idx)
key = item.data(QtCore.Qt.UserRole)
data, _ = self._dsc[key]
tg_value = self._tg_value[key][tg_type][0]
if isnan(tg_value):
continue
m.append([tg_value, data.value])
if len(m) > 1:
data = tau_hodge(*array(m).T)
data.name = f'{data.name} ({tg_type.capitalize()})'
plot.setData(data.x, data.y)
self._hodge[tg_type] = (plot, data)
def close(self) -> bool:
self.clear()
return super().close()
def accept(self) -> None:
if self.new_graph_tau_check.isChecked():
graph_id = ''
else:
graph_id = self.new_graph_tau_combo.currentData()
ret_dic = {}
for key, tg in self._tg_value.items():
tgx = [x for x, y in tg.values()]
tgy = [y for x, y in tg.values()]
if self.tg_export_check.isChecked():
tg_pts = Points(x=tgx, y=tgy, name=self._management[key].name + ' (Tg)', value=self._management[key].value)
else:
tg_pts = None
if self.tglines_export_check.isChecked():
line = self._lines[key]
else:
line = []
ret_dic[key] = (tg_pts, line)
ret_dic2 = []
for i in range(self.hodge_selection.count()):
if self.hodge_selection.isChecked(i):
item = self.hodge_selection.itemText(i).lower()
v = self._hodge.get(item)
ret_dic2.append(v[1])
self.newTg.emit(ret_dic, ret_dic2, graph_id)
self.close()

View File

@ -12,6 +12,7 @@ from ..lib import get_icon
from .._py.fitfunctionwidget import Ui_Form
from ..Qt import QtWidgets, QtCore, QtGui
class QFunctionWidget(QtWidgets.QWidget, Ui_Form):
func_cnt = count()
func_colors = cycle(Tab10)

View File

@ -171,7 +171,6 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
# default row for x is the first row, it will be superseded if an integer number is given.
try:
x = int(self.x_lineedit.text())-1
print(x)
except ValueError:
x = None
@ -203,7 +202,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
col_names=col_header)
self.data_read.emit(ret_dic)
except Exception as e:
except ImportError as e:
_ = QtWidgets.QMessageBox.information(self, 'Reading failed',
f'Import data failed with {e.args}')
@ -215,5 +214,4 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
@QtCore.pyqtSlot(int, name='on_skippy_checkbox_stateChanged')
def skip_next_dial(self, _: int):
print('skippy das buschkänguru', _)
self.skip = self.skippy_checkbox.isChecked()

View File

@ -5,7 +5,7 @@ from pathlib import Path
import numpy as np
from pyqtgraph import PlotDataItem
from nmreval.data.points import Points
from nmreval.data import DSC
from nmreval.io.dsc import Cyclohexane, DSCCalibrator, DSCSample
from ..Qt import QtWidgets, QtCore
@ -250,10 +250,11 @@ class QDSCReader(QtWidgets.QDialog, Ui_Dialog):
return
rate, mode = self.current_run
new_val = Points(sample_data[0], sample_data[1], value=rate, name=f'{self.fname.stem} {rate} ({mode})')
new_val = DSC(sample_data[0], sample_data[1], value=rate, name=f'{self.fname.stem} {rate} ({mode})')
if filesave:
new_val.savetxt(self.fname.with_name(f'{self.fname.stem} {rate}K-min {mode}.dat'.replace(' ', '_')))
close_after = False
else:
self.data_read.emit([new_val])

View File

@ -1,3 +1,5 @@
from typing import Any
from numpy import inf
from nmreval.utils.text import convert
@ -404,3 +406,21 @@ class ElideComboBox(QtWidgets.QComboBox):
opt.currentText = painter.fontMetrics().elidedText(opt.currentText, QtCore.Qt.ElideRight, rect.width())
painter.drawControl(QtWidgets.QStyle.CE_ComboBoxLabel, opt)
class CheckCombobox(QtWidgets.QComboBox):
def addItem(self, text: str, userData: Any=None) -> None:
super().addItem(text, userData=userData)
item = self.model().item(self.count()-1)
item.setFlags(QtCore.Qt.ItemIsEnabled | QtCore.Qt.ItemIsUserCheckable)
item.setCheckState(QtCore.Qt.Checked)
def addItems(self, text):
for text_i in text:
self.addItem(text_i)
def isChecked(self, idx: int) -> bool:
return bool(self.model().item(idx).checkState())

View File

@ -174,6 +174,7 @@ class PlotItem(PlotDataItem):
pen = self.opts['pen']
if isinstance(pen, tuple):
self.opts['linecolor'] = pen
self.opts['pen'] = mkPen(color=pen)
else:
c = pen.color()
self.opts['linecolor'] = c.red(), c.green(), c.blue()
@ -279,7 +280,7 @@ class PlotItem(PlotDataItem):
else:
self.scatter.hide()
def set_symbol(self, symbol=None, size=None, color=None):
def set_symbol(self, *, symbol=None, size=None, color=None):
if symbol is not None:
if isinstance(symbol, int):
self.setSymbol(SymbolStyle(symbol).to_str())
@ -313,14 +314,13 @@ class PlotItem(PlotDataItem):
self.opts['pen'] = pen
self.updateItems()
def set_line(self, style=None, width=None, color=None):
def set_line(self, *, style=None, width=None, color=None):
pen = self.opts['pen']
if pen is None:
pen = mkPen(style=QtCore.Qt.NoPen)
if width is not None:
pen.setWidthF(width)
if style is not None:
if isinstance(style, LineStyle):
style = style.value

View File

@ -16,6 +16,7 @@ from .management import UpperManagement
from ..Qt import QtGui, QtPrintSupport
from ..data.shift_graphs import QShift
from ..data.signaledit import QApodDialog, QBaselineDialog, QPhasedialog
from ..dsc.glass_dialog import TgCalculator
from ..fit.result import FitExtension, QFitResult
from ..graphs.graphwindow import QGraphWindow
from ..graphs.movedialog import QMover
@ -24,6 +25,7 @@ from ..io.filedialog import *
from ..lib import get_icon, make_action_icons
from ..lib.pg_objects import RegionItem
from ..lib.starter import make_starter
from ..math.binning import BinningWindow
from ..math.evaluation import QEvalDialog
from ..math.interpol import InterpolDialog
from ..math.mean_dialog import QMeanTimes
@ -55,6 +57,8 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
self.fitlimitvalues = [None, None]
self.fitpreview = []
self._fit_plot_id = None
self.savefitdialog = None
self._tg_dialog = None
self.fitresult_dialog = None
self.eval = None
self.editor = None
@ -239,7 +243,7 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
self.action_norm_area.triggered.connect(lambda: self.management.apply('norm', ('area',)))
self.action_cut.triggered.connect(lambda: self.management.cut())
self.actionConcatenate_sets.triggered.connect(lambda : self.management.cat())
self.actionConcatenate_sets.triggered.connect(lambda: self.management.cat())
self.management.graphs.valueChanged.connect(self.update_graph_list)
@ -710,6 +714,14 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
self.eval.exec()
@QtCore.pyqtSlot(name='on_actionBinning_triggered')
def open_binning(self):
dialog = BinningWindow(self)
res = dialog.exec()
if res:
digits = float(dialog.spinbox.text())
self.management.binning(digits)
@QtCore.pyqtSlot(name='on_actionDerivation_triggered')
# @QtCore.pyqtSlot(name='on_actionIntegration_triggered')
@QtCore.pyqtSlot(name='on_actionFilon_triggered')
@ -1125,3 +1137,12 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
def show_version(self):
from nmreval.version import __version__
QtWidgets.QMessageBox.about(self, 'Version', f'Build date of AppImage: {__version__}')
@QtCore.pyqtSlot(name='on_actionTNMH_model_triggered')
def show_tg_dialog(self):
if self._tg_dialog is None:
self._tg_dialog = TgCalculator(self.management, parent=self)
self._tg_dialog.newTg.connect(self.management.addTg)
else:
self._tg_dialog()
self._tg_dialog.show()

View File

@ -764,6 +764,39 @@ class UpperManagement(QtCore.QObject):
self.newData.emit(new_key, dest_graph)
def binning(self, digits: float):
_active = self.graphs[self.current_graph].active
new_data = []
for sid in _active:
key = self.add(self.data[sid].binning(digits=digits))
new_data.append(key)
self.newData.emit(new_data, self.current_graph)
@QtCore.pyqtSlot(dict, list, str)
def addTg(self, dic1: dict, dic2: list, graph_id: str):
for k, (tg, lines) in dic1.items():
p: ExperimentContainer = self[k]
col = p.plot_real.linecolor
tg_data_id = []
if tg is not None:
tg_data_id.append(self.add(tg, color=col))
for line in lines:
set_id = self.add(line, color=col)
self[set_id].setLine(style=LineStyle.Dashed)
self[set_id].setSymbol(symbol=SymbolStyle.No)
tg_data_id.append(set_id)
self.newData.emit(tg_data_id, self.current_graph)
set_id_list = []
for v in dic2:
set_id_list.append(self.add(v))
self.newData.emit(set_id_list, graph_id)
@QtCore.pyqtSlot(int, dict)
def smooth_data(self, npoints, param_kwargs):
_active = self.graphs[self.current_graph].active

View File

@ -0,0 +1,21 @@
from ..Qt import QtWidgets, QtGui
class BinningWindow(QtWidgets.QDialog):
def __init__(self, parent=None):
super().__init__(parent=parent)
layout = QtWidgets.QFormLayout()
self.label = QtWidgets.QLabel('Digits (negative values position left of decimal point)')
self.spinbox = QtWidgets.QLineEdit()
self.spinbox.setValidator(QtGui.QDoubleValidator())
self.spinbox.setText('1')
layout.addRow(self.label, self.spinbox)
self.dialogbox = QtWidgets.QDialogButtonBox(QtWidgets.QDialogButtonBox.Ok | QtWidgets.QDialogButtonBox.Cancel)
self.dialogbox.accepted.connect(self.accept)
self.dialogbox.rejected.connect(self.reject)
layout.addWidget(self.dialogbox)
self.setLayout(layout)