Merge branch 'master' of ssh://chaos3.fkp.physik.tu-darmstadt.de/source/nmreval

src/gui_qt/_py/asciidialog.py

@@ -1,10 +1,11 @@
 # -*- coding: utf-8 -*-
 
-# Form implementation generated from reading ui file '_ui/asciidialog.ui'
+# Form implementation generated from reading ui file '/autohome/dominik/nmreval/src/resources/_ui/asciidialog.ui'
 #
-# Created by: PyQt5 UI code generator 5.12.3
+# Created by: PyQt5 UI code generator 5.15.4
 #
-# WARNING! All changes made in this file will be lost!
+# 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
@@ -23,11 +24,11 @@ class Ui_ascii_reader(object):
         self.verticalLayout_3 = QtWidgets.QVBoxLayout(self.tabWidgetPage1)
         self.verticalLayout_3.setContentsMargins(0, 0, 0, 0)
         self.verticalLayout_3.setObjectName("verticalLayout_3")
-        self.plainTextEdit_2 = QtWidgets.QPlainTextEdit(self.tabWidgetPage1)
+        self.comment_textfield = QtWidgets.QPlainTextEdit(self.tabWidgetPage1)
-        self.plainTextEdit_2.setEnabled(False)
+        self.comment_textfield.setEnabled(False)
-        self.plainTextEdit_2.setMaximumSize(QtCore.QSize(16777215, 180))
+        self.comment_textfield.setMaximumSize(QtCore.QSize(16777215, 180))
-        self.plainTextEdit_2.setObjectName("plainTextEdit_2")
+        self.comment_textfield.setObjectName("comment_textfield")
-        self.verticalLayout_3.addWidget(self.plainTextEdit_2)
+        self.verticalLayout_3.addWidget(self.comment_textfield)
         self.ascii_table = QtWidgets.QTableWidget(self.tabWidgetPage1)
         sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Expanding)
         sizePolicy.setHorizontalStretch(0)
@@ -49,9 +50,9 @@ class Ui_ascii_reader(object):
         self.tabWidgetPage2.setObjectName("tabWidgetPage2")
         self.horizontalLayout_3 = QtWidgets.QHBoxLayout(self.tabWidgetPage2)
         self.horizontalLayout_3.setObjectName("horizontalLayout_3")
-        self.plainTextEdit = QtWidgets.QPlainTextEdit(self.tabWidgetPage2)
+        self.delay_textfield = QtWidgets.QPlainTextEdit(self.tabWidgetPage2)
-        self.plainTextEdit.setObjectName("plainTextEdit")
+        self.delay_textfield.setObjectName("delay_textfield")
-        self.horizontalLayout_3.addWidget(self.plainTextEdit)
+        self.horizontalLayout_3.addWidget(self.delay_textfield)
         self.formLayout = QtWidgets.QFormLayout()
         self.formLayout.setFieldGrowthPolicy(QtWidgets.QFormLayout.ExpandingFieldsGrow)
         self.formLayout.setContentsMargins(0, -1, -1, -1)
@@ -79,18 +80,18 @@ class Ui_ascii_reader(object):
         self.end_lineedit = QtWidgets.QLineEdit(self.tabWidgetPage2)
         self.end_lineedit.setObjectName("end_lineedit")
         self.formLayout.setWidget(2, QtWidgets.QFormLayout.FieldRole, self.end_lineedit)
-        self.checkBox = QtWidgets.QCheckBox(self.tabWidgetPage2)
+        self.log_checkBox = QtWidgets.QCheckBox(self.tabWidgetPage2)
-        self.checkBox.setLayoutDirection(QtCore.Qt.LeftToRight)
+        self.log_checkBox.setLayoutDirection(QtCore.Qt.LeftToRight)
-        self.checkBox.setObjectName("checkBox")
+        self.log_checkBox.setObjectName("log_checkBox")
-        self.formLayout.setWidget(3, QtWidgets.QFormLayout.SpanningRole, self.checkBox)
+        self.formLayout.setWidget(3, QtWidgets.QFormLayout.SpanningRole, self.log_checkBox)
-        self.checkBox_2 = QtWidgets.QCheckBox(self.tabWidgetPage2)
+        self.staggered_checkBox = QtWidgets.QCheckBox(self.tabWidgetPage2)
         sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Preferred)
         sizePolicy.setHorizontalStretch(0)
         sizePolicy.setVerticalStretch(0)
-        sizePolicy.setHeightForWidth(self.checkBox_2.sizePolicy().hasHeightForWidth())
+        sizePolicy.setHeightForWidth(self.staggered_checkBox.sizePolicy().hasHeightForWidth())
-        self.checkBox_2.setSizePolicy(sizePolicy)
+        self.staggered_checkBox.setSizePolicy(sizePolicy)
-        self.checkBox_2.setObjectName("checkBox_2")
+        self.staggered_checkBox.setObjectName("staggered_checkBox")
-        self.formLayout.setWidget(4, QtWidgets.QFormLayout.LabelRole, self.checkBox_2)
+        self.formLayout.setWidget(4, QtWidgets.QFormLayout.LabelRole, self.staggered_checkBox)
         self.stag_lineEdit = QtWidgets.QLineEdit(self.tabWidgetPage2)
         self.stag_lineEdit.setEnabled(True)
         self.stag_lineEdit.setObjectName("stag_lineEdit")
@@ -139,9 +140,9 @@ class Ui_ascii_reader(object):
         self.label_5 = QtWidgets.QLabel(self.widget)
         self.label_5.setObjectName("label_5")
         self.horizontalLayout_4.addWidget(self.label_5)
-        self.lineEdit = QtWidgets.QLineEdit(self.widget)
+        self.deltay_lineEdit = QtWidgets.QLineEdit(self.widget)
-        self.lineEdit.setObjectName("lineEdit")
+        self.deltay_lineEdit.setObjectName("deltay_lineEdit")
-        self.horizontalLayout_4.addWidget(self.lineEdit)
+        self.horizontalLayout_4.addWidget(self.deltay_lineEdit)
         self.horizontalLayout.addWidget(self.widget)
         self.verticalLayout.addLayout(self.horizontalLayout)
         self.horizontalLayout_2 = QtWidgets.QHBoxLayout()
@@ -152,23 +153,23 @@ class Ui_ascii_reader(object):
         self.horizontalLayout_2.addWidget(self.skippy_checkbox)
         spacerItem3 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
         self.horizontalLayout_2.addItem(spacerItem3)
-        self.radioButton = QtWidgets.QRadioButton(ascii_reader)
+        self.pts_radioButton = QtWidgets.QRadioButton(ascii_reader)
-        self.radioButton.setChecked(True)
+        self.pts_radioButton.setChecked(True)
-        self.radioButton.setAutoExclusive(True)
+        self.pts_radioButton.setAutoExclusive(True)
-        self.radioButton.setObjectName("radioButton")
+        self.pts_radioButton.setObjectName("pts_radioButton")
         self.buttonGroup = QtWidgets.QButtonGroup(ascii_reader)
         self.buttonGroup.setObjectName("buttonGroup")
-        self.buttonGroup.addButton(self.radioButton)
+        self.buttonGroup.addButton(self.pts_radioButton)
-        self.horizontalLayout_2.addWidget(self.radioButton)
+        self.horizontalLayout_2.addWidget(self.pts_radioButton)
-        self.radioButton_2 = QtWidgets.QRadioButton(ascii_reader)
+        self.FID_radioButton = QtWidgets.QRadioButton(ascii_reader)
-        self.radioButton_2.setAutoExclusive(True)
+        self.FID_radioButton.setAutoExclusive(True)
-        self.radioButton_2.setObjectName("radioButton_2")
+        self.FID_radioButton.setObjectName("FID_radioButton")
-        self.buttonGroup.addButton(self.radioButton_2)
+        self.buttonGroup.addButton(self.FID_radioButton)
-        self.horizontalLayout_2.addWidget(self.radioButton_2)
+        self.horizontalLayout_2.addWidget(self.FID_radioButton)
-        self.radioButton_3 = QtWidgets.QRadioButton(ascii_reader)
+        self.spectrum_radioButton = QtWidgets.QRadioButton(ascii_reader)
-        self.radioButton_3.setObjectName("radioButton_3")
+        self.spectrum_radioButton.setObjectName("spectrum_radioButton")
-        self.buttonGroup.addButton(self.radioButton_3)
+        self.buttonGroup.addButton(self.spectrum_radioButton)
-        self.horizontalLayout_2.addWidget(self.radioButton_3)
+        self.horizontalLayout_2.addWidget(self.spectrum_radioButton)
         self.verticalLayout.addLayout(self.horizontalLayout_2)
         self.buttonbox = QtWidgets.QDialogButtonBox(ascii_reader)
         self.buttonbox.setStandardButtons(QtWidgets.QDialogButtonBox.Apply|QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok)
@@ -187,8 +188,8 @@ class Ui_ascii_reader(object):
         self.label_2.setText(_translate("ascii_reader", "Number of delays"))
         self.label_3.setText(_translate("ascii_reader", "Start value"))
         self.label_4.setText(_translate("ascii_reader", "End value"))
-        self.checkBox.setText(_translate("ascii_reader", "Logarithmic scale"))
+        self.log_checkBox.setText(_translate("ascii_reader", "Logarithmic scale"))
-        self.checkBox_2.setText(_translate("ascii_reader", "Staggered range"))
+        self.staggered_checkBox.setText(_translate("ascii_reader", "Staggered range"))
         self.pushButton.setText(_translate("ascii_reader", "Calculate delays"))
         self.tabWidget.setTabText(self.tabWidget.indexOf(self.tabWidgetPage2), _translate("ascii_reader", "Delays"))
         self.x_label.setText(_translate("ascii_reader", "x"))
@@ -198,6 +199,6 @@ class Ui_ascii_reader(object):
         self.label_5.setText(_translate("ascii_reader", "<html><head/><body><p>Δy</p></body></html>"))
         self.skippy_checkbox.setToolTip(_translate("ascii_reader", "Use selection for next files. Deletes possible delay values."))
         self.skippy_checkbox.setText(_translate("ascii_reader", "Skip next dialogues?"))
-        self.radioButton.setText(_translate("ascii_reader", "Points"))
+        self.pts_radioButton.setText(_translate("ascii_reader", "Points"))
-        self.radioButton_2.setText(_translate("ascii_reader", "FID"))
+        self.FID_radioButton.setText(_translate("ascii_reader", "FID"))
-        self.radioButton_3.setText(_translate("ascii_reader", "Spectrum"))
+        self.spectrum_radioButton.setText(_translate("ascii_reader", "Spectrum"))

src/gui_qt/data/valueeditwidget.py

@@ -2,7 +2,8 @@ from __future__ import annotations
 
 from typing import Any
 
-import numpy as np
+from numpy import ndarray, iscomplexobj, asarray
+from pyqtgraph import PlotDataItem
 
 from ..Qt import QtGui, QtCore, QtWidgets
 from .._py.valueeditor import Ui_MaskDialog
@@ -14,7 +15,7 @@ class ValueEditWidget(QtWidgets.QWidget, Ui_MaskDialog):
     itemChanged = QtCore.pyqtSignal(str, tuple, object)
     itemDeleted = QtCore.pyqtSignal(str, list)
     itemAdded = QtCore.pyqtSignal(str)
-    values_selected = QtCore.pyqtSignal(str, list, list)
+    values_selected = QtCore.pyqtSignal(str, str)
     split_signal = QtCore.pyqtSignal(str, int)
 
     def __init__(self, parent=None):
@@ -37,8 +38,10 @@ class ValueEditWidget(QtWidgets.QWidget, Ui_MaskDialog):
         self.tableView.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
         self.tableView.customContextMenuRequested.connect(self.ctx)
 
-        self.graph_combobox.currentIndexChanged.connect(self._populate_sets)
+        self.selection_real = PlotDataItem(x=[], y=[], symbolSize=25, symbol='x',
-        self.set_combobox.currentIndexChanged.connect(self._populate_table)
+                                           pen=None, symbolPen='#c9308e', symbolBrush='#c9308e')
+        self.selection_imag = PlotDataItem(x=[], y=[], symbolSize=25, symbol='+',
+                                           pen=None, symbolPen='#dcdcdc', symbolBrush='#dcdcdc')
 
     def __call__(self, items: dict):
         self.items = items
@@ -58,7 +61,7 @@ class ValueEditWidget(QtWidgets.QWidget, Ui_MaskDialog):
 
         return self
 
-    @QtCore.pyqtSlot(int)
+    @QtCore.pyqtSlot(int, name='on_graph_combobox_currentIndexChanged')
     def _populate_sets(self, idx: int):
         if idx == -1:
             self.graph_combobox.setCurrentIndex(0)
@@ -66,6 +69,7 @@ class ValueEditWidget(QtWidgets.QWidget, Ui_MaskDialog):
 
         self.set_combobox.blockSignals(True)
         self.set_combobox.clear()
+        old_figure = self.connected_figure
         self.connected_figure = self.graph_combobox.currentData()
 
         if self.items:
@@ -80,13 +84,15 @@ class ValueEditWidget(QtWidgets.QWidget, Ui_MaskDialog):
         self.set_combobox.setCurrentIndex(sidx)
         self.set_combobox.currentIndexChanged.emit(sidx)
 
-    @QtCore.pyqtSlot(int)
+        self.values_selected.emit(old_figure, self.connected_figure)
+
+    @QtCore.pyqtSlot(int, name='on_set_combobox_currentIndexChanged')
     def _populate_table(self, idx):
         self.selection_model.clearSelection()
         self.shown_set = self.set_combobox.itemData(idx)
         self.requestData.emit(self.set_combobox.itemData(idx))
 
-    def set_data(self, data: list, mask: np.ndarray):
+    def set_data(self, data: list, mask: ndarray):
         self.selection_model.clearSelection()
         self.model.loadData(data, mask)
         self.spinBox.setMaximum(self.model.rowCount())
@@ -193,9 +199,16 @@ class ValueEditWidget(QtWidgets.QWidget, Ui_MaskDialog):
             try:
                 yvals.append(float(self.model.data(idx.sibling(idx.row(), 1))))
             except ValueError:
-                yvals.append(complex(self.model.data(idx.sibling(idx.row(), 1))).real)
+                yvals.append(complex(self.model.data(idx.sibling(idx.row(), 1))))
 
-        self.values_selected.emit(self.connected_figure, xvals, yvals)
+        yvals = asarray(yvals)
+
+        if iscomplexobj(yvals):
+            self.selection_real.setData(x=xvals, y=yvals.real)
+            self.selection_imag.setData(x=xvals, y=yvals.imag)
+        else:
+            self.selection_real.setData(x=xvals, y=yvals)
+            self.selection_imag.setData(x=[], y=[])
 
     @QtCore.pyqtSlot(name='on_toolButton_clicked')
     def goto(self):
@@ -227,7 +240,7 @@ class ValueModel(QtCore.QAbstractTableModel):
     def columnCount(self, *args, **kwargs) -> int:
         return len(self.headers)
 
-    def loadData(self, data: list[np.ndarray], mask: np.ndarray):
+    def loadData(self, data: list[ndarray], mask: ndarray):
         self.beginResetModel()
         self._data = []
         for x, y, y_err in zip(*data):

src/gui_qt/graphs/graphwindow.py

@@ -5,11 +5,13 @@ import os
 import uuid
 
 from math import isnan
+from pathlib import Path
 
 from numpy import errstate, floor, log10
 from pyqtgraph import GraphicsObject, getConfigOption, mkColor
 
 from nmreval.utils.text import convert
+from ..io.filedialog import FileDialog
 
 from ..lib.pg_objects import LegendItemBlock, RegionItem
 from ..Qt import QtCore, QtWidgets, QtGui
@@ -524,64 +526,67 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
             str_format = imgformat.data().decode('utf-8')
             filters += ';;' + str_format.upper() + ' (*.' + str_format + ')'
 
-        outfile, _ = QtWidgets.QFileDialog.getSaveFileName(self, caption='Export graphic', filter=filters,
+        outfile = None
-                                                           options=QtWidgets.QFileDialog.DontConfirmOverwrite)
+        f = FileDialog(caption='Export graphic', filters=filters)
+        mode = f.exec()
+        if mode == QtWidgets.QDialog.Accepted:
+            outfile = f.save_file()
         if outfile:
             self.export(outfile)
 
-    def export(self, outfile: str):
+    def export(self, outfile: Path):
-            _, suffix = os.path.splitext(outfile)
+        suffix = outfile.suffix
-            if suffix == '':
+        if suffix == '':
-                QtWidgets.QMessageBox.warning(self, 'No file extension',
+            QtWidgets.QMessageBox.warning(self, 'No file extension',
-                                              'No file extension found, graphic was not saved.')
+                                          'No file extension found, graphic was not saved.')
-                return
+            return
 
-            if suffix == '.agr':
+        if suffix == '.agr':
-                res = 0
+            res = 0
-                if os.path.exists(outfile):
+            if outfile.exists():
-                    res = GraceMsgBox(outfile, parent=self).exec()
+                res = GraceMsgBox(outfile, parent=self).exec()
-                    if res == -1:
+                if res == -1:
-                        return
+                    return
 
-                opts = self.export_graphics()
+            opts = self.export_graphics()
 
-                from ..io.exporters import GraceExporter
+            from ..io.exporters import GraceExporter
-                if res == 0:
+            if res == 0:
-                    mode = 'w'
+                mode = 'w'
-                elif res == 1:
+            elif res == 1:
-                    mode = 'a'
+                mode = 'a'
-                else:
+            else:
-                    mode = res-2
+                mode = res-2
 
-                GraceExporter(opts).export(outfile, mode=mode)
+            GraceExporter(opts).export(outfile, mode=mode)
+
+        else:
+            if os.path.exists(outfile):
+                if QtWidgets.QMessageBox.warning(self, 'Export graphic',
+                                                 f'{os.path.split(outfile)[1]} already exists.\n'
+                                                 f'Do you REALLY want to replace it?',
+                                                 QtWidgets.QMessageBox.Yes | QtWidgets.QMessageBox.No,
+                                                 QtWidgets.QMessageBox.No) == QtWidgets.QMessageBox.No:
+                    return
+
+            bg_color = self._bgcolor
+            fg_color = self._fgcolor
+            self.set_color(foreground='k', background='w')
+
+            if suffix == '.pdf':
+                from ..io.exporters import PDFPrintExporter
+                PDFPrintExporter(self.graphic).export(outfile)
+
+            elif suffix == '.svg':
+                from pyqtgraph.exporters import SVGExporter
+                SVGExporter(self.scene).export(outfile)
 
             else:
-                if os.path.exists(outfile):
+                from pyqtgraph.exporters import ImageExporter
-                    if QtWidgets.QMessageBox.warning(self, 'Export graphic',
-                                                     f'{os.path.split(outfile)[1]} already exists.\n'
-                                                     f'Do you REALLY want to replace it?',
-                                                     QtWidgets.QMessageBox.Yes | QtWidgets.QMessageBox.No,
-                                                     QtWidgets.QMessageBox.No) == QtWidgets.QMessageBox.No:
-                        return
 
-                bg_color = self._bgcolor
+                ImageExporter(self.scene).export(outfile)
-                fg_color = self._fgcolor
-                self.set_color(foreground='k', background='w')
 
-                if suffix == '.pdf':
+            self.set_color(foreground=fg_color, background=bg_color)
-                    from ..io.exporters import PDFPrintExporter
-                    PDFPrintExporter(self.graphic).export(outfile)
-
-                elif suffix == '.svg':
-                    from pyqtgraph.exporters import SVGExporter
-                    SVGExporter(self.scene).export(outfile)
-
-                else:
-                    from pyqtgraph.exporters import ImageExporter
-
-                    ImageExporter(self.scene).export(outfile)
-
-                self.set_color(foreground=fg_color, background=bg_color)
 
     def export_graphics(self) -> dict:
         dic = self.get_state()

src/gui_qt/io/asciireader.py

@@ -18,7 +18,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
         pal = QtWidgets.QApplication.instance().palette()
         rgb = pal.color(pal.Base).getRgb()[:3]
         rgb2 = pal.color(pal.Text).getRgb()[:3]
-        self.plainTextEdit_2.setStyleSheet(f'QPlainTextEdit {{ background-color: rgb{rgb} ; color: rgb{rgb2}; }}')
+        self.comment_textfield.setStyleSheet(f'Qdelay_textfield {{ background-color: rgb{rgb} ; color: rgb{rgb2}; }}')
 
         self.ascii_table.horizontalHeader().setStretchLastSection(True)
         self.buttonbox.button(QtWidgets.QDialogButtonBox.Apply).clicked.connect(self.apply)
@@ -31,13 +31,12 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
         self.ascii_table.horizontalHeader().customContextMenuRequested.connect(self.ctx_table)
 
     def __call__(self, fname, *args, **kwargs):
-
         for i in [self.stag_lineEdit, self.start_lineedit, self.end_lineedit,
-                  self.plainTextEdit_2, self.ascii_table, self.delay_lineedit]:
+                  self.comment_textfield, self.ascii_table, self.delay_lineedit]:
             i.clear()
-        self.checkBox_2.setChecked(False)
+        self.staggered_checkBox.setChecked(False)
-        self.checkBox.setChecked(False)
+        self.log_checkBox.setChecked(False)
-        self.plainTextEdit_2.show()
+        self.comment_textfield.show()
 
         self.reader = AsciiReader(fname)
         self.set_gui()
@@ -53,7 +52,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
 
     def set_gui(self):
         for text in self.reader.header:
-            self.plainTextEdit_2.appendPlainText(text)
+            self.comment_textfield.appendPlainText(text)
 
         self.ascii_table.setRowCount(self.reader.shape[0])
         self.ascii_table.setColumnCount(self.reader.shape[1])
@@ -62,7 +61,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
             if len(last_header_line) == self.reader.shape[1]:
                 self.ascii_table.setHorizontalHeaderLabels(last_header_line)
         except IndexError:
-            self.plainTextEdit_2.hide()
+            self.comment_textfield.hide()
 
         for i, line in enumerate(self.reader.data):
             for j, field in enumerate(line):
@@ -73,7 +72,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
 
         if self.reader.delays is not None:
             set_string = ''.join(str(d) + '\n' for d in self.reader.delays)
-            self.plainTextEdit.setPlainText(set_string)
+            self.delay_textfield.setPlainText(set_string)
             self.delay_lineedit.setText(str(len(self.reader.delays)))
 
     def ctx_table(self, _):
@@ -92,7 +91,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
     def set_columns(self, mode):
         cols = ' '.join([str(s.column()+1) for s in self.ascii_table.selectionModel().selectedColumns()])
         try:
-            lineedit = {'x': self.x_lineedit, 'y': self.y_lineedit, 'yerr': self.lineEdit}[mode]
+            lineedit = {'x': self.x_lineedit, 'y': self.y_lineedit, 'yerr': self.deltay_lineEdit}[mode]
             lineedit.setText(cols)
         except KeyError:
             pass
@@ -109,19 +108,19 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
     @QtCore.pyqtSlot(name='on_pushButton_clicked')
     def calc_delays(self):
         self.reader.calc_delays(float(self.start_lineedit.text()), float(self.end_lineedit.text()),
-                                int(self.delay_lineedit.text()), log=self.checkBox.isChecked(),
+                                int(self.delay_lineedit.text()), log=self.log_checkBox.isChecked(),
-                                stagg=self.checkBox_2.isChecked(), stag_size=int(self.stag_lineEdit.text()))
+                                stagg=self.staggered_checkBox.isChecked(), stag_size=int(self.stag_lineEdit.text()))
 
         set_string = ''.join(str(d) + '\n' for d in self.reader.delays)
-        self.plainTextEdit.setPlainText(set_string)
+        self.delay_textfield.setPlainText(set_string)
 
     def update_header(self, text, comment='#'):
         text = text.replace(comment, '').lstrip().rstrip()
-        self.plainTextEdit_2.appendPlainText(text)
+        self.comment_textfield.appendPlainText(text)
 
     @QtCore.pyqtSlot()
-    def on_plainTextEdit_textChanged(self):
+    def on_delay_textfield_textChanged(self):
-        new_delays = str(self.plainTextEdit.toPlainText()).rstrip('\n').split('\n')
+        new_delays = str(self.delay_textfield.toPlainText()).rstrip('\n').split('\n')
         self.delay_lineedit.setText(str(len(new_delays)))
         if new_delays[0] == '':
             new_delays = None
@@ -150,7 +149,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
         except ValueError:
             y = None
         try:
-            y_err = [int(t)-1 for t in str(self.lineEdit.text()).split(' ')]
+            y_err = [int(t)-1 for t in str(self.deltay_lineEdit.text()).split(' ')]
         except ValueError:
             y_err = None
 
@@ -179,7 +178,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
         if val == -2:
             self.widget.show()
         else:
-            self.lineEdit.setText('')
+            self.deltay_lineEdit.setText('')
             self.widget.hide()
 
     @QtCore.pyqtSlot(int, name='on_skippy_checkbox_stateChanged')

src/gui_qt/io/exporters.py

@@ -1,5 +1,7 @@
 from __future__ import annotations
 
+from pathlib import Path
+
 from numpy import c_
 
 from nmreval.io.graceeditor import GraceEditor
@@ -13,7 +15,7 @@ class GraceExporter:
         self.__agr = None
         self.__opts = kwargs
 
-    def export(self, outfile: str, mode: int | str = 'w'):
+    def export(self, outfile: str | Path, mode: int | str = 'w'):
         if mode == 'w':
             self.__agr = GraceEditor()
         else:

src/gui_qt/io/filedialog.py

@@ -5,14 +5,17 @@ import pathlib
 from ..Qt import QtWidgets, QtCore
 
 
-class _FileDialog(QtWidgets.QFileDialog):
+class FileDialog(QtWidgets.QFileDialog):
+    last_path = None
+
     def __init__(self, directory=None, caption=None, filters='', parent=None):
         super().__init__(parent=parent)
 
         self.setOption(QtWidgets.QFileDialog.DontUseNativeDialog, True)
 
         self.setWindowTitle(caption)
-        self.setDirectory(str(directory))
+        if directory is not None:
+            self.setDirectory(str(directory))
         self.setNameFilters(filters.split(';;'))
 
         file_tree = self.findChild(QtWidgets.QTreeView, 'treeView')
@@ -29,8 +32,14 @@ class _FileDialog(QtWidgets.QFileDialog):
         line.setFrameShadow(line.Sunken)
         self.layout().addWidget(line, self.layout().rowCount(), 0, 1, self.layout().columnCount())
 
+    def save_file(self) -> pathlib.Path | None:
+        outfile = self.selectedFiles()
+        if outfile:
+            return pathlib.Path(outfile[0])
+        return
 
-class OpenFileDialog(_FileDialog):
+
+class OpenFileDialog(FileDialog):
     def __init__(self, directory=None, caption=None, filters='', parent=None):
         super().__init__(directory=directory, caption=caption, filters=filters, parent=parent)
 
@@ -71,7 +80,7 @@ class OpenFileDialog(_FileDialog):
         self.add_to_graph = self.comboBox.itemData(idx)
 
 
-class SaveDirectoryDialog(_FileDialog):
+class SaveDirectoryDialog(FileDialog):
     def __init__(self, directory=None, filters='', parent=None):
         super().__init__(directory=directory, filters=filters, parent=parent)
 
@@ -115,8 +124,3 @@ class SaveDirectoryDialog(_FileDialog):
         self.setNameFilters(['All files (*.*)', 'Session file (*.nmr)', 'Text file (*.dat)',
                              'HDF file (*.h5)', 'Grace files (*.agr)'])
 
-    def save_file(self) -> pathlib.Path | None:
-        outfile = self.selectedFiles()
-        if outfile:
-            return pathlib.Path(outfile[0])
-        return

src/gui_qt/main/mainwindow.py

@@ -101,9 +101,6 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
         self.statusBar.addWidget(self.mousepos)
 
         self.fitregion = RegionItem()
-        self._values_plot = PlotDataItem(x=[], y=[], symbolSize=30, symbol='x',
-                                         pen=None, symbolPen='#d526b5', symbolBrush='#d526b5')
-
         self._fit_plot_id = None
 
         self.setGeometry(QtWidgets.QStyle.alignedRect(QtCore.Qt.LeftToRight, QtCore.Qt.AlignCenter,
@@ -530,12 +527,14 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
     def _select_valuewidget(self, onoff: bool):
         if onoff:  # Values
             self.valuewidget(self.management.graphs.tree())
-            self.valuewidget.connected_figure = self.management.current_graph
+            current_graph = self.valuewidget.connected_figure
-            if self.valuewidget.connected_figure is not None:
+            if current_graph is not None:
-                self.management.graphs[self.valuewidget.connected_figure].add_external(self._values_plot)
+                self.management.graphs[current_graph].add_external(self.valuewidget.selection_real)
+                self.management.graphs[current_graph].add_external(self.valuewidget.selection_imag)
         else:
             if self.valuewidget.connected_figure is not None:
-                self.management.graphs[self.valuewidget.connected_figure].remove_external(self._values_plot)
+                self.management.graphs[self.valuewidget.connected_figure].remove_external(self.valuewidget.selection_real)
+                self.management.graphs[self.valuewidget.connected_figure].remove_external(self.valuewidget.selection_imag)
 
     def _select_integralwidget(self, onoff: bool, pick_required: bool, block_window: bool) -> tuple[bool, bool]:
         if self.current_graph_widget is None:
@@ -777,12 +776,12 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
         data, mask = self.management.get_data(sid)
         self.valuewidget.set_data(data, mask)
 
-    def plot_selected_values(self, gid: str, x: list, y: list):
+    def plot_selected_values(self, old_gid: str, new_gid: str):
-        self._values_plot.setData(x=x, y=y)
+        for pts in (self.valuewidget.selection_real, self.valuewidget.selection_imag):
-        if gid != self.valuewidget.connected_figure and self.valuewidget.connected_figure is not None:
+            if old_gid:
-            self.management.graphs[self.valuewidget.connected_figure].remove_external(self._values_plot)
+                self.management.graphs[old_gid].remove_external(pts)
-            self.management.graphs[gid].add_external(self._values_plot)
+            if new_gid:
-            self.valuewidget.connected_figure = gid
+                self.management.graphs[new_gid].add_external(pts)
 
     @QtCore.pyqtSlot(object, str)
     def item_to_graph(self, item, graph_id):

src/gui_qt/main/management.py

@@ -9,12 +9,13 @@ from nmreval.fit import data as fit_d
 from nmreval.fit.model import Model
 from nmreval.fit.result import FitResult
 from nmreval.fit.minimizer import FitRoutine
-from nmreval.lib.colors import TUColorsC, available_cycles
+from nmreval.lib.colors import available_cycles
 from nmreval.math.interpol import interpolate
 from nmreval.math.logfourier import logft
 from nmreval.math.smooth import smooth
 from nmreval.nmr.relaxation import Relaxation
 
+from ..Qt import QtCore, QtWidgets
 from ..lib.undos import *
 from ..data.container import *
 from ..io.filereaders import QFileReader
@@ -112,6 +113,8 @@ class UpperManagement(QtCore.QObject):
         self.undostack = QtWidgets.QUndoStack()
         self.deleteData.connect(self.plot_from_graph)
 
+        self._filereader = None
+
     def __setitem__(self, key: str, value, **kwargs):
         if isinstance(value, ExperimentContainer):
             item = value
@@ -148,7 +151,9 @@ class UpperManagement(QtCore.QObject):
         return _id
 
     def load_files(self, fname: List[str], new_plot: str = None):
-        ret_dic = QFileReader(manager=self).readfiles(fname)
+        if self._filereader is None:
+            self._filereader = QFileReader(manager=self)
+        ret_dic = self._filereader.readfiles(fname)
         self.add_new_data(ret_dic, new_plot)
 
     def _load_session(self, sets: dict, graphs: dict):
@@ -1000,9 +1005,9 @@ class UpperManagement(QtCore.QObject):
             if opts['axis1'] in ['t', 'invt1000']:
                 t_p = opts['t_param']
                 if len(t_p) == 2:
-                    from ...models import Arrhenius as Func
+                    from nmreval.models import Arrhenius as Func
                 else:
-                    from ...models import VFT as Func
+                    from nmreval.models import VFT as Func
 
                 _x = Func.func(x1, *t_p, invt=opts['axis1'])
 
@@ -1078,7 +1083,7 @@ class UpperManagement(QtCore.QObject):
                 raise ValueError('No file extension detected')
 
         if suffix == '.nmr':
-            from ...io.sessionwriter import NMRWriter
+            from nmreval.io.sessionwriter import NMRWriter
             NMRWriter(self.graphs, self.data).export(path)
 
             return

src/nmreval/io/asciireader.py

@@ -105,6 +105,7 @@ class AsciiReader:
 
             if mode == 'Points':
                 try:
+                    # TODO read errors correctly
                     for k in range(1, raw_data.shape[2]):
                         if raw_data.shape[2] < 3:
                             name = only_f

src/nmreval/io/graceeditor.py

@@ -1,3 +1,5 @@
+from __future__ import annotations
+
 import pathlib
 import re
 from io import StringIO
@@ -93,7 +95,7 @@ class GraceEditor:
 
         return s
 
-    def parse(self, filename):
+    def parse(self, filename: str | pathlib.Path):
         self.file = pathlib.Path(filename)
 
         # we start always with the header

src/resources/_ui/asciidialog.ui

@@ -24,11 +24,20 @@
        <string>Data</string>
       </attribute>
       <layout class="QVBoxLayout" name="verticalLayout_3">
-       <property name="margin">
+       <property name="leftMargin">
+        <number>0</number>
+       </property>
+       <property name="topMargin">
+        <number>0</number>
+       </property>
+       <property name="rightMargin">
+        <number>0</number>
+       </property>
+       <property name="bottomMargin">
         <number>0</number>
        </property>
        <item>
-        <widget class="QPlainTextEdit" name="plainTextEdit_2">
+        <widget class="QPlainTextEdit" name="comment_textfield">
          <property name="enabled">
           <bool>false</bool>
          </property>
@@ -76,7 +85,7 @@
       </attribute>
       <layout class="QHBoxLayout" name="horizontalLayout_3">
        <item>
-        <widget class="QPlainTextEdit" name="plainTextEdit"/>
+        <widget class="QPlainTextEdit" name="delay_textfield"/>
        </item>
        <item>
         <layout class="QFormLayout" name="formLayout">
@@ -123,7 +132,7 @@
           <widget class="QLineEdit" name="end_lineedit"/>
          </item>
          <item row="3" column="0" colspan="2">
-          <widget class="QCheckBox" name="checkBox">
+          <widget class="QCheckBox" name="log_checkBox">
            <property name="layoutDirection">
             <enum>Qt::LeftToRight</enum>
            </property>
@@ -133,7 +142,7 @@
           </widget>
          </item>
          <item row="4" column="0">
-          <widget class="QCheckBox" name="checkBox_2">
+          <widget class="QCheckBox" name="staggered_checkBox">
            <property name="sizePolicy">
             <sizepolicy hsizetype="Minimum" vsizetype="Preferred">
              <horstretch>0</horstretch>
@@ -243,7 +252,16 @@
         <property name="spacing">
          <number>0</number>
         </property>
-        <property name="margin">
+        <property name="leftMargin">
+         <number>0</number>
+        </property>
+        <property name="topMargin">
+         <number>0</number>
+        </property>
+        <property name="rightMargin">
+         <number>0</number>
+        </property>
+        <property name="bottomMargin">
          <number>0</number>
         </property>
         <item>
@@ -267,7 +285,7 @@
          </widget>
         </item>
         <item>
-         <widget class="QLineEdit" name="lineEdit"/>
+         <widget class="QLineEdit" name="deltay_lineEdit"/>
         </item>
        </layout>
       </widget>
@@ -303,7 +321,7 @@
       </spacer>
      </item>
      <item>
-      <widget class="QRadioButton" name="radioButton">
+      <widget class="QRadioButton" name="pts_radioButton">
        <property name="text">
         <string>Points</string>
        </property>
@@ -319,7 +337,7 @@
       </widget>
      </item>
      <item>
-      <widget class="QRadioButton" name="radioButton_2">
+      <widget class="QRadioButton" name="FID_radioButton">
        <property name="text">
         <string>FID</string>
        </property>
@@ -332,7 +350,7 @@
       </widget>
      </item>
      <item>
-      <widget class="QRadioButton" name="radioButton_3">
+      <widget class="QRadioButton" name="spectrum_radioButton">
        <property name="text">
         <string>Spectrum</string>
        </property>