src/gui_qt/_py/basewindow.py

@@ -372,6 +372,8 @@ class Ui_BaseWindow(object):
         self.action_cut_xaxis.setObjectName("action_cut_xaxis")
         self.action_cut_yaxis = QtWidgets.QAction(BaseWindow)
         self.action_cut_yaxis.setObjectName("action_cut_yaxis")
+        self.actionUse_script = QtWidgets.QAction(BaseWindow)
+        self.actionUse_script.setObjectName("actionUse_script")
         self.menuSave.addAction(self.actionSave)
         self.menuSave.addAction(self.actionExportGraphic)
         self.menuSave.addAction(self.action_save_fit_parameter)
@@ -399,6 +401,7 @@ class Ui_BaseWindow(object):
         self.menuData.addAction(self.menuCut_to_visible_range.menuAction())
         self.menuData.addSeparator()
         self.menuData.addAction(self.actionChange_datatypes)
+        self.menuData.addAction(self.actionUse_script)
         self.menuHelp.addAction(self.actionShow_error_log)
         self.menuHelp.addAction(self.actionUpdate)
         self.menuHelp.addAction(self.actionBugs)
@@ -647,6 +650,7 @@ class Ui_BaseWindow(object):
         self.action_cut_xaxis.setToolTip(_translate("BaseWindow", "Remove data points outside visible x range."))
         self.action_cut_yaxis.setText(_translate("BaseWindow", "y axis"))
         self.action_cut_yaxis.setToolTip(_translate("BaseWindow", "Remove data points outside visible y range. Uses real part of points."))
+        self.actionUse_script.setText(_translate("BaseWindow", "Use script..."))
 from ..data.datawidget.datawidget import DataWidget
 from ..data.integral_widget import IntegralWidget
 from ..data.point_select import PointSelectWidget

src/gui_qt/editors/codeeditor.py

@@ -187,10 +187,10 @@ class CodeEditor(QtWidgets.QPlainTextEdit):
         self.highlight = PythonHighlighter(self.document())
 
     def keyPressEvent(self, evt):
-        if evt.key() == QtCore.Qt.Key_Tab:
+        if evt.key() == QtCore.Qt.Key.Key_Tab:
             # use spaces instead of tab
             self.insertPlainText(' '*4)
-        elif evt.key() == QtCore.Qt.Key_Insert:
+        elif evt.key() == QtCore.Qt.Key.Key_Insert:
             self.setOverwriteMode(not self.overwriteMode())
         else:
             super().keyPressEvent(evt)
@@ -225,7 +225,7 @@ class CodeEditor(QtWidgets.QPlainTextEdit):
 
     def paintevent_linenumber(self, evt):
         painter = QtGui.QPainter(self.current_linenumber)
-        painter.fillRect(evt.rect(), QtCore.Qt.lightGray)
+        painter.fillRect(evt.rect(), QtCore.Qt.GlobalColor.lightGray)
 
         block = self.firstVisibleBlock()
         block_number = block.blockNumber()
@@ -237,9 +237,9 @@ class CodeEditor(QtWidgets.QPlainTextEdit):
         while block.isValid() and (top <= evt.rect().bottom()):
             if block.isVisible() and (bottom >= evt.rect().top()):
                 number = str(block_number + 1)
-                painter.setPen(QtCore.Qt.black)
+                painter.setPen(QtCore.Qt.GlobalColor.black)
                 painter.drawText(0, int(top), self.current_linenumber.width() - 3, height,
-                                 QtCore.Qt.AlignRight, number)
+                                 QtCore.Qt.AlignmentFlag.AlignRight, number)
 
             block = block.next()
             top = bottom
@@ -252,7 +252,7 @@ class CodeEditor(QtWidgets.QPlainTextEdit):
         if not self.isReadOnly():
             selection = QtWidgets.QTextEdit.ExtraSelection()
 
-            line_color = QtGui.QColor(QtCore.Qt.yellow).lighter(180)
+            line_color = QtGui.QColor(QtCore.Qt.GlobalColor.yellow).lighter(180)
 
             selection.format.setBackground(line_color)
             selection.format.setProperty(QtGui.QTextFormat.FullWidthSelection, True)

src/gui_qt/editors/script_editor.py

@@ -0,0 +1,30 @@
+from __future__ import annotations
+
+from pathlib import Path
+
+from .usermodeleditor import QUsermodelEditor
+from ..Qt import QtWidgets, QtCore, QtGui
+
+
+class QEditor(QUsermodelEditor):
+    runSignal = QtCore.pyqtSignal(str)
+
+    def __init__(self, path: str | Path = None, parent=None):
+        super().__init__(path, parent=parent)
+
+        self.add_run_button()
+
+    def add_run_button(self):
+        self.disclaimer = QtWidgets.QLabel("This is work in progress and less than perfect :(")
+        self.disclaimer.setStyleSheet('QLabel {color: rgb(255, 0, 0); font-weight: bold; font-size: 2.5em;};')
+        self.centralwidget.layout().insertWidget(0, self.disclaimer)
+
+        self.run_button = QtWidgets.QPushButton("Run")
+        self.centralwidget.layout().addWidget(self.run_button)
+
+        self.run_button.clicked.connect(self.start_script)
+
+    @QtCore.pyqtSlot()
+    def start_script(self):
+        self.runSignal.emit(self.edit_field.toPlainText())
+

src/gui_qt/editors/usermodeleditor.py

@@ -3,7 +3,7 @@ from __future__ import annotations
 from pathlib import Path
 
 from ..Qt import QtWidgets, QtCore, QtGui
-from ..lib.codeeditor import EditorWidget
+from .codeeditor import EditorWidget
 
 
 class QUsermodelEditor(QtWidgets.QMainWindow):
@@ -50,18 +50,20 @@ class QUsermodelEditor(QtWidgets.QMainWindow):
         self.menuFile.addAction('Close', self.close, QtGui.QKeySequence.Quit)
 
         self.resize(800, 600)
-        self.setGeometry(QtWidgets.QStyle.alignedRect(
-            QtCore.Qt.LeftToRight, QtCore.Qt.AlignCenter,
-            self.size(), QtWidgets.qApp.desktop().availableGeometry()
-        ))
+        self.setGeometry(
+            QtWidgets.QStyle.alignedRect(
+                QtCore.Qt.LayoutDirection.LeftToRight,
+                QtCore.Qt.AlignmentFlag.AlignCenter,
+                self.size(),
+                QtWidgets.qApp.desktop().availableGeometry()
+            )
+        )
 
-    @property
     def is_modified(self):
-        return self.edit_field.document().isModified()
+        return self.edit_field.editor.document().isModified()
 
-    @is_modified.setter
-    def is_modified(self, val: bool):
-        self.edit_field.document().setModified(val)
+    def set_modified(self, val: bool):
+        self.edit_field.editor.document().setModified(val)
 
     @QtCore.pyqtSlot()
     def open_file(self):
@@ -75,17 +77,22 @@ class QUsermodelEditor(QtWidgets.QMainWindow):
     def read_file(self, fname: str | Path):
         self.set_fname_opts(fname)
 
-        with self.fname.open('r') as f:
-            self.edit_field.setPlainText(f.read())
+        if self.fname is not None:
+            with self.fname.open('r') as f:
+                self.edit_field.setPlainText(f.read())
 
     def set_fname_opts(self, fname: str | Path):
-        self.fname = Path(fname)
-        self._dir = self.fname.parent
-        self.setWindowTitle('Edit ' + str(fname))
+        fname = Path(fname)
+        if fname.is_file():
+            self.fname = Path(fname)
+            self._dir = self.fname.parent
+            self.setWindowTitle('Edit ' + str(fname))
+        elif fname.is_dir():
+            self._dir = fname
+
 
-    @property
     def changes_saved(self) -> bool:
-        if not self.is_modified:
+        if not self.is_modified():
             return True
 
         ret = QtWidgets.QMessageBox.question(self, 'Time to think',
@@ -97,9 +104,9 @@ class QUsermodelEditor(QtWidgets.QMainWindow):
             self.save_file()
 
         if ret == QtWidgets.QMessageBox.No:
-            self.is_modified = False
+            self.set_modified(False)
 
-        return not self.is_modified
+        return not self.is_modified()
 
     @QtCore.pyqtSlot()
     def save_file(self):
@@ -111,9 +118,9 @@ class QUsermodelEditor(QtWidgets.QMainWindow):
 
             self.set_fname_opts(outfile)
 
-            self.is_modified = False
+            self.set_modified(False)
 
-        return self.is_modified
+        return self.is_modified()
 
     @QtCore.pyqtSlot()
     def overwrite_file(self):
@@ -123,10 +130,10 @@ class QUsermodelEditor(QtWidgets.QMainWindow):
 
         self.modelsChanged.emit()
 
-        self.is_modified = False
+        self.set_modified(False)
 
     def closeEvent(self, evt: QtGui.QCloseEvent):
-        if not self.changes_saved:
+        if not self.changes_saved():
             evt.ignore()
         else:
             super().closeEvent(evt)

src/gui_qt/fit/fit_parameter.py

@@ -12,12 +12,13 @@ from ..lib.forms import SelectionWidget
 class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
     value_requested = QtCore.pyqtSignal(int)
 
-    def __init__(self, parent=None):
+    def __init__(self, func_id: int, parent=None):
         super().__init__(parent=parent)
         self.setupUi(self)
 
         self.func = None
         self.func_idx = None
+        self.func_id = func_id
         self.max_width = QtCore.QSize(0, 0)
         self.global_parameter = []
         self.data_parameter = []
@@ -301,8 +302,10 @@ class ParameterSingleWidget(QtWidgets.QWidget):
 
         self.name = name
         self.parametername.setText(convert(name))
-        self.parametername.setToolTip('If this is bold then this parameter is only for this data. '
-                              'Otherwise, the general parameter is used and displayed')
+        self.parametername.setToolTip(
+            'If this is bold then this parameter is only for this data. '
+            'Otherwise, the general parameter is used and displayed'
+        )
 
         # self.value_line.setValidator(QtGui.QDoubleValidator())
         self.value_line.textChanged.connect(lambda: self.valueChanged.emit(self.value) if self.value is not None else 0)

src/gui_qt/fit/fitwindow.py

@@ -77,8 +77,12 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
         """
         w = self.param_widgets[idx]
         self.stackedWidget.removeWidget(w)
+        w.setParent(None)
         w.deleteLater()
         del self.param_widgets[idx]
+        _, func_id = self.functionwidget.get_selected()
+
+        self.get_functions()
 
         self._current_function = None
         if len(self.param_widgets) == 0:
@@ -104,7 +108,7 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
             if function is None:
                 return
 
-            dialog = QFitParameterWidget(self.stackedWidget)
+            dialog = QFitParameterWidget(function_id, self.stackedWidget)
             data_names = self.data_table.data_list(include_name=True)
 
             dialog.set_function(function, function_idx)
@@ -206,9 +210,7 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
 
         for m in self.models[model_id]:
             func_id = m['cnt']
-            self.stackedWidget.removeWidget(self.param_widgets[func_id])
-
-            self.param_widgets.pop(func_id)
+            self.remove_function(func_id)
 
         self._complex.pop(model_id)
         self._func_list.pop(model_id)

src/gui_qt/fit/function_creation_dialog.py

@@ -8,9 +8,9 @@ from typing import Any
 
 import numpy as np
 
-from gui_qt.Qt import QtCore, QtWidgets, QtGui
-from gui_qt._py.fitcreationdialog import Ui_Dialog
-from gui_qt.lib.namespace import QNamespaceWidget
+from ..Qt import QtCore, QtWidgets, QtGui
+from .._py.fitcreationdialog import Ui_Dialog
+from ..editors.namespace import QNamespaceWidget
 
 __all__ = ['QUserFitCreator']
 

src/gui_qt/io/fcbatchreader.py

@@ -88,7 +88,6 @@ class QFCReader(QtWidgets.QDialog, Ui_FCEval_dialog):
 
     def accept(self):
         items = [self.listWidget.item(i).text() for i in range(self.listWidget.count())]
-        print(items)
         if items:
             with busy_cursor():
                 self.read(items)

src/gui_qt/lib/logger.py

@@ -3,7 +3,7 @@ from pathlib import Path
 
 from PyQt5 import QtWidgets
 
-from .codeeditor import _make_textformats
+from ..editors.codeeditor import _make_textformats
 from ..Qt import QtWidgets, QtCore, QtGui
 from nmreval.configs import config_paths
 

src/gui_qt/lib/namespace.py

@@ -4,6 +4,8 @@ from collections import namedtuple
 
 import numpy as np
 
+import nmreval
+
 from nmreval import models
 from nmreval.configs import config_paths
 from nmreval.lib.importer import find_models, import_
@@ -28,6 +30,7 @@ class Namespace:
                     'y_err': (None, 'y error values'),
                     'fit': (None, 'dictionary of fit parameter', 'fit["PIKA"]'),
                     'np': (np, 'numpy module'),
+                    'nmreval': (nmreval, 'built-in classes and stuff')
                  },
                 parents=('Basic', 'General'),
             )

src/gui_qt/main/mainwindow.py

@@ -985,13 +985,21 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
     @QtCore.pyqtSlot(name='on_actionFunction_editor_triggered')
     def edit_models(self):
         if self.editor is None:
-            from ..lib.usermodeleditor import QUsermodelEditor
+            from ..editors.usermodeleditor import QUsermodelEditor
 
             self.editor = QUsermodelEditor(config_paths() / 'usermodels.py', parent=self)
             self.editor.modelsChanged.connect(lambda: self.fit_dialog.read_and_load_functions())
             self.editor.setWindowModality(QtCore.Qt.WindowModality.ApplicationModal)
         self.editor.show()
 
+    @QtCore.pyqtSlot(name='on_actionUse_script_triggered')
+    def open_editor(self):
+        from ..editors.script_editor import QEditor
+
+        editor = QEditor(self.path, parent=self)
+        editor.runSignal.connect(self.management.run_script)
+        editor.show()
+
     @QtCore.pyqtSlot(list, bool)
     def extend_fit(self, sets: list, only_subplots: bool):
         if only_subplots:

src/gui_qt/main/management.py

@@ -1033,7 +1033,7 @@ class UpperManagement(QtCore.QObject):
             else:
                 data = self.data[sets[0]]
                 if isinstance(data.data, new_type):
-                    error_list.append(f'{data.name} is alreade of type {new_type.__name__}')
+                    error_list.append(f'{data.name} is already of type {new_type.__name__}')
                     continue
 
                 new_data = new_type(data.x, np.zeros(data.x.size))
@@ -1067,6 +1067,8 @@ class UpperManagement(QtCore.QObject):
 
     @QtCore.pyqtSlot(list, list, bool)
     def eval_expression(self, cmds: list, set_ids: list, overwrite: bool):
+        if self.namespace is None:
+            self.namespace = self.get_namespace()
         ns = self.namespace.flatten()
 
         if overwrite:
@@ -1099,13 +1101,28 @@ class UpperManagement(QtCore.QObject):
 
         if failures:
             err_msg = QtWidgets.QMessageBox(parent=self.sender())
-            err_msg.setText('One or more errors occured during evaluation.')
+            err_msg.setText('One or more errors occurred during evaluation.')
             err_msg.setDetailedText('\n'.join(f'{d.name} failed with error: {err.args}' for d, err in failures))
             err_msg.exec()
 
         self.sender().success = not failures
         self.sender().add_data(self.active_sets)
 
+    @QtCore.pyqtSlot(str)
+    def run_script(self, text):
+        self.namespace = self.get_namespace()
+        ns = self.namespace.flatten()
+        ns['return_list'] = []
+
+        # custom namespace must be available in global namespace of exec, otherwise imports do not work in functions
+        exec(text, ns, ns)
+
+        new_sets = []
+        for new_data in ns['return_list']:
+            new_sets.append(self.add(new_data))
+
+        self.newData.emit(new_sets, '')
+
     @QtCore.pyqtSlot(list, dict)
     def create_from_function(self, cmds: list, opts: dict):
         ns = dict(self.namespace.flatten())

src/resources/_ui/basewindow.ui

@@ -192,6 +192,7 @@
     <addaction name="menuCut_to_visible_range"/>
     <addaction name="separator"/>
     <addaction name="actionChange_datatypes"/>
+    <addaction name="actionUse_script"/>
    </widget>
    <widget class="QMenu" name="menuHelp">
     <property name="title">
@@ -1049,6 +1050,11 @@
     <string>Remove data points outside visible y range. Uses real part of points.</string>
    </property>
   </action>
+  <action name="actionUse_script">
+   <property name="text">
+    <string>Use script...</string>
+   </property>
+  </action>
  </widget>
  <customwidgets>
   <customwidget>