Parameter are new initial values after fit

__init__.py

@@ -1,2 +0,0 @@
-
-from .version import __version__, __releasename__

doc/source/conf.py

@@ -12,7 +12,6 @@
 #
 import os
 import sys
-import sphinx_bootstrap_theme
 sys.path.append('/autohome/dominik/nmreval')
 import nmreval
 

nmreval/fit/_meta.py

@@ -100,12 +100,12 @@ class MultiModel:
                         if v.default is not Parameter.empty}
 
             for k, v in temp_dic.items():
-                key_ = '%s_%d' % (k, idx)
+                key_ = f'{k}_{idx}'
                 kw_dict[key_] = v
                 self._fun_kwargs[key_] = v
                 self._ext_int_kw[key_] = k
 
-            strcnt = '(%d)' % idx
+            strcnt = f'({idx})'
 
         self.params += [pp+strcnt for pp in func.params]
         self.name += func.name + strcnt

nmreval/fit/model.py

@@ -17,7 +17,7 @@ class Model(object):
         elif inspect.isfunction(model):
             self._init_from_function(model)
         else:
-            raise ValueError(f'No idea how to use datatype {model}.')
+            raise ValueError(f'No idea how to use datatype {model!r}.')
 
         self.lb = [i if i is not None else -inf for i in self.lb]
         self.ub = [i if i is not None else inf for i in self.ub]
@@ -140,7 +140,6 @@ class Model(object):
             return [self.func(p, x, **kwargs)]
 
         else:
-            print('multi model')
             if not kwargs:
                 kwargs = self.fun_kwargs
 

nmreval/fit/parameter.py

@@ -1,3 +1,5 @@
+from __future__ import annotations
+
 from numbers import Number
 from itertools import count
 
@@ -115,6 +117,15 @@ class Parameter:
         else:
             return start + f'{self.value:} (fixed)'
 
+    def __add__(self, other: Parameter | float) -> float:
+        if isinstance(other, float):
+            return self.value + other
+        elif isinstance(other, Parameter):
+            return self.value + other.value
+
+    def __radd__(self, other: Parameter | float) -> float:
+        return self.__add__(other)
+
     @property
     def scaled_value(self):
         return self.value / self.scale

nmreval/fit/result.py

@@ -94,8 +94,13 @@ class FitResultCreator:
                 correlation = corr
                 partial_correlation = pcorr
 
-        return FitResult(_x, _y, x_orig, y_orig, parameters, fun_kwargs, resid, nobs, nvar, model.name, stats,
+        return (
-                         idx=idx, corr=correlation, pcorr=partial_correlation, islog=islog, iscomplex=model.is_complex), part_functions
+            FitResult(_x, _y, x_orig, y_orig, parameters, fun_kwargs, resid,
+                      nobs, nvar, model.name, stats,
+                      idx=idx, corr=correlation, pcorr=partial_correlation,
+                      islog=islog, iscomplex=model.is_complex),
+            part_functions,
+        )
 
     @staticmethod
     def calc_statistics(y, residual, nobs=None, nvar=None):

nmreval/gui_qt/_py/fitresult.py

@@ -27,6 +27,69 @@ class Ui_Dialog(object):
         self.sets_comboBox.setSizeAdjustPolicy(QtWidgets.QComboBox.AdjustToMinimumContentsLength)
         self.sets_comboBox.setObjectName("sets_comboBox")
         self.gridLayout.addWidget(self.sets_comboBox, 0, 0, 1, 1)
+        self.buttonBox = QtWidgets.QDialogButtonBox(Dialog)
+        self.buttonBox.setStandardButtons(QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok|QtWidgets.QDialogButtonBox.Retry)
+        self.buttonBox.setObjectName("buttonBox")
+        self.gridLayout.addWidget(self.buttonBox, 6, 0, 1, 2)
+        self.param_tableWidget = QtWidgets.QTableWidget(Dialog)
+        self.param_tableWidget.setHorizontalScrollBarPolicy(QtCore.Qt.ScrollBarAsNeeded)
+        self.param_tableWidget.setSizeAdjustPolicy(QtWidgets.QAbstractScrollArea.AdjustIgnored)
+        self.param_tableWidget.setEditTriggers(QtWidgets.QAbstractItemView.NoEditTriggers)
+        self.param_tableWidget.setAlternatingRowColors(True)
+        self.param_tableWidget.setSelectionMode(QtWidgets.QAbstractItemView.SingleSelection)
+        self.param_tableWidget.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectColumns)
+        self.param_tableWidget.setShowGrid(False)
+        self.param_tableWidget.setColumnCount(0)
+        self.param_tableWidget.setObjectName("param_tableWidget")
+        self.param_tableWidget.setRowCount(0)
+        self.param_tableWidget.horizontalHeader().setStretchLastSection(False)
+        self.gridLayout.addWidget(self.param_tableWidget, 1, 0, 1, 1)
+        self.groupBox = QtWidgets.QGroupBox(Dialog)
+        self.groupBox.setObjectName("groupBox")
+        self.gridLayout_2 = QtWidgets.QGridLayout(self.groupBox)
+        self.gridLayout_2.setContentsMargins(3, 3, 3, 3)
+        self.gridLayout_2.setSpacing(3)
+        self.gridLayout_2.setObjectName("gridLayout_2")
+        self.graph_checkBox = QtWidgets.QCheckBox(self.groupBox)
+        sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed)
+        sizePolicy.setHorizontalStretch(0)
+        sizePolicy.setVerticalStretch(0)
+        sizePolicy.setHeightForWidth(self.graph_checkBox.sizePolicy().hasHeightForWidth())
+        self.graph_checkBox.setSizePolicy(sizePolicy)
+        self.graph_checkBox.setChecked(True)
+        self.graph_checkBox.setObjectName("graph_checkBox")
+        self.gridLayout_2.addWidget(self.graph_checkBox, 1, 1, 1, 1)
+        self.graph_comboBox = QtWidgets.QComboBox(self.groupBox)
+        self.graph_comboBox.setEnabled(False)
+        self.graph_comboBox.setObjectName("graph_comboBox")
+        self.gridLayout_2.addWidget(self.graph_comboBox, 1, 2, 1, 1)
+        self.curve_checkbox = QtWidgets.QCheckBox(self.groupBox)
+        self.curve_checkbox.setChecked(True)
+        self.curve_checkbox.setObjectName("curve_checkbox")
+        self.gridLayout_2.addWidget(self.curve_checkbox, 0, 0, 1, 1)
+        self.partial_checkBox = QtWidgets.QCheckBox(self.groupBox)
+        self.partial_checkBox.setObjectName("partial_checkBox")
+        self.gridLayout_2.addWidget(self.partial_checkBox, 1, 0, 1, 1)
+        self.parameter_checkbox = QtWidgets.QCheckBox(self.groupBox)
+        self.parameter_checkbox.setChecked(True)
+        self.parameter_checkbox.setObjectName("parameter_checkbox")
+        self.gridLayout_2.addWidget(self.parameter_checkbox, 0, 1, 1, 1)
+        self.gridLayout.addWidget(self.groupBox, 5, 0, 1, 2)
+        self.horizontalLayout_2 = QtWidgets.QHBoxLayout()
+        self.horizontalLayout_2.setSpacing(3)
+        self.horizontalLayout_2.setObjectName("horizontalLayout_2")
+        self.reject_fit_checkBox = QtWidgets.QCheckBox(Dialog)
+        self.reject_fit_checkBox.setObjectName("reject_fit_checkBox")
+        self.horizontalLayout_2.addWidget(self.reject_fit_checkBox)
+        self.del_prev_checkBox = QtWidgets.QCheckBox(Dialog)
+        self.del_prev_checkBox.setObjectName("del_prev_checkBox")
+        self.horizontalLayout_2.addWidget(self.del_prev_checkBox)
+        self.gridLayout.addLayout(self.horizontalLayout_2, 2, 0, 1, 1)
+        self.line = QtWidgets.QFrame(Dialog)
+        self.line.setFrameShape(QtWidgets.QFrame.HLine)
+        self.line.setFrameShadow(QtWidgets.QFrame.Sunken)
+        self.line.setObjectName("line")
+        self.gridLayout.addWidget(self.line, 3, 0, 1, 2)
         self.stack = QtWidgets.QToolBox(Dialog)
         sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Preferred)
         sizePolicy.setHorizontalStretch(0)
@@ -35,7 +98,7 @@ class Ui_Dialog(object):
         self.stack.setSizePolicy(sizePolicy)
         self.stack.setObjectName("stack")
         self.page = QtWidgets.QWidget()
-        self.page.setGeometry(QtCore.QRect(0, 0, 399, 414))
+        self.page.setGeometry(QtCore.QRect(0, 0, 399, 346))
         self.page.setObjectName("page")
         self.verticalLayout = QtWidgets.QVBoxLayout(self.page)
         self.verticalLayout.setContentsMargins(3, 3, 3, 3)
@@ -50,7 +113,7 @@ class Ui_Dialog(object):
         self.verticalLayout.addWidget(self.logy_box)
         self.stack.addItem(self.page, "")
         self.page_2 = QtWidgets.QWidget()
-        self.page_2.setGeometry(QtCore.QRect(0, 0, 399, 414))
+        self.page_2.setGeometry(QtCore.QRect(0, 0, 399, 346))
         self.page_2.setObjectName("page_2")
         self.verticalLayout_2 = QtWidgets.QVBoxLayout(self.page_2)
         self.verticalLayout_2.setContentsMargins(3, 3, 3, 3)
@@ -67,7 +130,7 @@ class Ui_Dialog(object):
         self.verticalLayout_2.addWidget(self.stats_tableWidget)
         self.stack.addItem(self.page_2, "")
         self.page_3 = QtWidgets.QWidget()
-        self.page_3.setGeometry(QtCore.QRect(0, 0, 399, 414))
+        self.page_3.setGeometry(QtCore.QRect(0, 0, 399, 346))
         self.page_3.setObjectName("page_3")
         self.verticalLayout_3 = QtWidgets.QVBoxLayout(self.page_3)
         self.verticalLayout_3.setContentsMargins(3, 3, 3, 3)
@@ -92,64 +155,7 @@ class Ui_Dialog(object):
         self.corr_tableWidget.verticalHeader().setVisible(False)
         self.verticalLayout_3.addWidget(self.corr_tableWidget)
         self.stack.addItem(self.page_3, "")
-        self.gridLayout.addWidget(self.stack, 0, 1, 4, 1)
+        self.gridLayout.addWidget(self.stack, 0, 1, 3, 1)
-        self.horizontalLayout = QtWidgets.QHBoxLayout()
-        self.horizontalLayout.setSpacing(3)
-        self.horizontalLayout.setObjectName("horizontalLayout")
-        self.partial_checkBox = QtWidgets.QCheckBox(Dialog)
-        self.partial_checkBox.setObjectName("partial_checkBox")
-        self.horizontalLayout.addWidget(self.partial_checkBox)
-        spacerItem = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
-        self.horizontalLayout.addItem(spacerItem)
-        self.label_2 = QtWidgets.QLabel(Dialog)
-        self.label_2.setObjectName("label_2")
-        self.horizontalLayout.addWidget(self.label_2)
-        self.graph_checkBox = QtWidgets.QCheckBox(Dialog)
-        sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed)
-        sizePolicy.setHorizontalStretch(0)
-        sizePolicy.setVerticalStretch(0)
-        sizePolicy.setHeightForWidth(self.graph_checkBox.sizePolicy().hasHeightForWidth())
-        self.graph_checkBox.setSizePolicy(sizePolicy)
-        self.graph_checkBox.setChecked(True)
-        self.graph_checkBox.setObjectName("graph_checkBox")
-        self.horizontalLayout.addWidget(self.graph_checkBox)
-        self.graph_comboBox = QtWidgets.QComboBox(Dialog)
-        self.graph_comboBox.setEnabled(False)
-        self.graph_comboBox.setObjectName("graph_comboBox")
-        self.horizontalLayout.addWidget(self.graph_comboBox)
-        self.gridLayout.addLayout(self.horizontalLayout, 5, 0, 1, 2)
-        self.line_2 = QtWidgets.QFrame(Dialog)
-        self.line_2.setFrameShape(QtWidgets.QFrame.HLine)
-        self.line_2.setFrameShadow(QtWidgets.QFrame.Sunken)
-        self.line_2.setObjectName("line_2")
-        self.gridLayout.addWidget(self.line_2, 3, 0, 1, 1)
-        self.horizontalLayout_2 = QtWidgets.QHBoxLayout()
-        self.horizontalLayout_2.setSpacing(3)
-        self.horizontalLayout_2.setObjectName("horizontalLayout_2")
-        self.reject_fit_checkBox = QtWidgets.QCheckBox(Dialog)
-        self.reject_fit_checkBox.setObjectName("reject_fit_checkBox")
-        self.horizontalLayout_2.addWidget(self.reject_fit_checkBox)
-        self.del_prev_checkBox = QtWidgets.QCheckBox(Dialog)
-        self.del_prev_checkBox.setObjectName("del_prev_checkBox")
-        self.horizontalLayout_2.addWidget(self.del_prev_checkBox)
-        self.gridLayout.addLayout(self.horizontalLayout_2, 2, 0, 1, 1)
-        self.buttonBox = QtWidgets.QDialogButtonBox(Dialog)
-        self.buttonBox.setStandardButtons(QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok|QtWidgets.QDialogButtonBox.Retry)
-        self.buttonBox.setObjectName("buttonBox")
-        self.gridLayout.addWidget(self.buttonBox, 6, 0, 1, 2)
-        self.param_tableWidget = QtWidgets.QTableWidget(Dialog)
-        self.param_tableWidget.setHorizontalScrollBarPolicy(QtCore.Qt.ScrollBarAsNeeded)
-        self.param_tableWidget.setSizeAdjustPolicy(QtWidgets.QAbstractScrollArea.AdjustIgnored)
-        self.param_tableWidget.setEditTriggers(QtWidgets.QAbstractItemView.NoEditTriggers)
-        self.param_tableWidget.setAlternatingRowColors(True)
-        self.param_tableWidget.setSelectionMode(QtWidgets.QAbstractItemView.SingleSelection)
-        self.param_tableWidget.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectColumns)
-        self.param_tableWidget.setShowGrid(False)
-        self.param_tableWidget.setColumnCount(0)
-        self.param_tableWidget.setObjectName("param_tableWidget")
-        self.param_tableWidget.setRowCount(0)
-        self.param_tableWidget.horizontalHeader().setStretchLastSection(False)
-        self.gridLayout.addWidget(self.param_tableWidget, 1, 0, 1, 1)
 
         self.retranslateUi(Dialog)
         self.stack.setCurrentIndex(0)
@@ -159,6 +165,13 @@ class Ui_Dialog(object):
     def retranslateUi(self, Dialog):
         _translate = QtCore.QCoreApplication.translate
         Dialog.setWindowTitle(_translate("Dialog", "Fit results"))
+        self.groupBox.setTitle(_translate("Dialog", "Output"))
+        self.graph_checkBox.setText(_translate("Dialog", "New graph"))
+        self.curve_checkbox.setText(_translate("Dialog", "Plot fit curve"))
+        self.partial_checkBox.setText(_translate("Dialog", "Plot partial functions"))
+        self.parameter_checkbox.setText(_translate("Dialog", "Plot parameter"))
+        self.reject_fit_checkBox.setText(_translate("Dialog", "Reject this fit"))
+        self.del_prev_checkBox.setText(_translate("Dialog", "Delete previous fits"))
         self.logy_box.setText(_translate("Dialog", "logarithmic y axis"))
         self.stack.setItemText(self.stack.indexOf(self.page), _translate("Dialog", "Plot"))
         self.stack.setItemText(self.stack.indexOf(self.page_2), _translate("Dialog", "Statistics"))
@@ -171,10 +184,5 @@ class Ui_Dialog(object):
         item = self.corr_tableWidget.horizontalHeaderItem(3)
         item.setText(_translate("Dialog", "Partial Corr."))
         self.stack.setItemText(self.stack.indexOf(self.page_3), _translate("Dialog", "Correlations"))
-        self.partial_checkBox.setText(_translate("Dialog", "Plot partial functions"))
-        self.label_2.setText(_translate("Dialog", "Location of parameters:"))
-        self.graph_checkBox.setText(_translate("Dialog", "New graph"))
-        self.reject_fit_checkBox.setText(_translate("Dialog", "Reject this fit"))
-        self.del_prev_checkBox.setText(_translate("Dialog", "Delete previous fits"))
 from ..lib.forms import ElideComboBox
 from pyqtgraph import GraphicsLayoutWidget

nmreval/gui_qt/data/container.py

@@ -9,7 +9,7 @@ from ...data.points import Points
 from ...data.signals import Signal
 from ...utils.text import convert
 from ...data.bds import BDS
-from ...lib.colors import Colors
+from ...lib.colors import BaseColor, TUColors
 from ...lib.lines import LineStyle
 from ...lib.symbols import SymbolStyle, symbolcycle
 from ...data.nmr import Spectrum, FID
@@ -24,7 +24,7 @@ class ExperimentContainer(QtCore.QObject):
     dataChanged = QtCore.pyqtSignal(str)
     labelChanged = QtCore.pyqtSignal(str, str)
     groupChanged = QtCore.pyqtSignal(str, str)
-    colors = cycle(Colors)
+    colors = cycle(TUColors)
 
     def __init__(self, identifier, data, **kwargs):
         super().__init__()
@@ -63,25 +63,27 @@ class ExperimentContainer(QtCore.QObject):
     def __len__(self):
         return len(self._data)
 
-    def copy(self, full: bool = False):
+    def copy(self, full: bool = False, keep_color: bool = True):
         if full:
-            # pen_dict = {
+            pen_dict = {}
-            #     'symbol': self.plot_real.symbol,
+            if keep_color:
-            #     'symbolcolor': self.plot_real.symbolcolor,
+                pen_dict = {
-            #     'symbolsize': self.plot_real.symbolsize,
+                    'symbol': self.plot_real.symbol,
-            #     'linestyle': self.plot_real.linestyle,
+                    'symbolcolor': self.plot_real.symbolcolor,
-            #     'linecolor': self.plot_real.linecolor,
+                    'symbolsize': self.plot_real.symbolsize,
-            #     'linewidth': self.plot_real.linewidth,
+                    'linestyle': self.plot_real.linestyle,
-            # }
+                    'linecolor': self.plot_real.linecolor,
+                    'linewidth': self.plot_real.linewidth,
+                }
 
-            new_data = type(self)(str(self.id), self._data.copy(), manager=self._manager)
+            new_data = type(self)(str(self.id), self._data.copy(), manager=self._manager, **pen_dict)
             new_data.mode = self.mode
 
-            # if self.plot_imag is not None:
+            if keep_color and self.plot_imag is not None:
-            #     new_data.plot_imag.set_symbol(symbol=self.plot_imag.symbol, size=self.plot_imag.symbolsize,
+                new_data.plot_imag.set_symbol(symbol=self.plot_imag.symbol, size=self.plot_imag.symbolsize,
-            #                                   color=self.plot_imag.symbolcolor)
+                                              color=self.plot_imag.symbolcolor)
-            #     new_data.plot_imag.set_line(style=self.plot_imag.linestyle, width=self.plot_imag.linewidth,
+                new_data.plot_imag.set_line(style=self.plot_imag.linestyle, width=self.plot_imag.linewidth,
-            #                                 color=self.plot_imag.linecolor)
+                                            color=self.plot_imag.linecolor)
 
             return new_data
 
@@ -548,7 +550,7 @@ class FitContainer(ExperimentContainer):
 
     def _init_plot(self, **kwargs):
         color = kwargs.get('color', (0, 0, 0))
-        if isinstance(color, Colors):
+        if isinstance(color, BaseColor):
             color = color.rgb()
 
         self.plot_real = PlotItem(x=self._data.x, y=self._data.y.real, name=self.name,

nmreval/gui_qt/data/datawidget/datawidget.py

@@ -23,6 +23,7 @@ class DataTree(QtWidgets.QTreeWidget):
         self.invisibleRootItem().setFlags(self.invisibleRootItem().flags() ^ QtCore.Qt.ItemIsDropEnabled)
 
         self.itemChanged.connect(self.data_change)
+        self.itemClicked.connect(self.new_selection)
 
         self.setColumnCount(2)
 
@@ -76,7 +77,7 @@ class DataTree(QtWidgets.QTreeWidget):
                 break
 
     @QtCore.pyqtSlot(QtWidgets.QTreeWidgetItem)
-    def data_change(self, item: QtWidgets.QTreeWidgetItem) -> (list, list):
+    def data_change(self, item: QtWidgets.QTreeWidgetItem) -> tuple[set, set]:
         idd = item.data(0, QtCore.Qt.UserRole)
         is_selected = item.checkState(0) == QtCore.Qt.Checked
         to_be_hidden = set()
@@ -140,6 +141,11 @@ class DataTree(QtWidgets.QTreeWidget):
 
         return to_be_shown, to_be_hidden
 
+    @QtCore.pyqtSlot(QtWidgets.QTreeWidgetItem)
+    def new_selection(self, item: QtWidgets.QTreeWidgetItem):
+        if item.parent() is None:
+            self.management.select_window(item.data(0, QtCore.Qt.UserRole))
+
     def dropEvent(self, evt: QtGui.QDropEvent):
         dropped_index = self.indexAt(evt.pos())
         if not dropped_index.isValid():

nmreval/gui_qt/fit/fit_forms.py

@@ -1,4 +1,6 @@
-from typing import Tuple, Union
+from __future__ import annotations
+
+from typing import List, Tuple, Union
 
 from ...utils.text import convert
 from ..Qt import QtCore, QtWidgets, QtGui
@@ -51,8 +53,8 @@ class FitModelWidget(QtWidgets.QWidget, Ui_FitParameter):
         return convert(self.parametername.text().strip(), old='html', new='str')
 
     def set_parameter_string(self, p: str):
-        self.parameter_line.setText(str(p))
+        self.parameter_line.setText(p)
-        self.parameter_line.setToolTip(str(p))
+        self.parameter_line.setToolTip(p)
 
     def set_bounds(self, lb: float, ub: float, cbox: bool = True):
         self.checkBox.setCheckState(QtCore.Qt.Checked if cbox else QtCore.Qt.Unchecked)
@@ -66,20 +68,24 @@ class FitModelWidget(QtWidgets.QWidget, Ui_FitParameter):
         self.lineEdit.setEnabled(value == 2)
         self.lineEdit_2.setEnabled(value == 2)
 
-    def set_parameter(self, p: list, bds: Tuple[float, float, bool] = (None, None, False),
+    def set_parameter(self, p: float | None, bds: Tuple[float, float, bool] = None,
-                      fixed: bool = False, glob: bool = False):
+                      fixed: bool = None, glob: bool = None):
         if p is None:
             # bad hack: linked parameter return (None, linked parameter)
             # if p is None -> parameter is linked to argument given by bds
             self.link_parameter(linkto=bds)
         else:
-            ptext = ' '.join([f'{pp:.4g}' for pp in p])
+            ptext = f'{p:.4g}'
 
             self.set_parameter_string(ptext)
 
+            if bds is not None:
                 self.set_bounds(*bds)
 
+            if fixed is not None:
                 self.fixed_check.setCheckState(QtCore.Qt.Unchecked if fixed else QtCore.Qt.Checked)
+
+            if glob is not None:
                 self.global_checkbox.setCheckState(QtCore.Qt.Checked if glob else QtCore.Qt.Unchecked)
 
     def get_parameter(self):
@@ -323,7 +329,7 @@ class FitModelTree(QtWidgets.QTreeWidget):
 
         return function_nr, idx
 
-    def get_functions(self, full=True, parent=None, pos=-1, return_pos=False):
+    def get_functions(self, full: bool = True, pos: int = -1, return_pos: bool = False, parent=None):
         """
         Create nested list of functions in tree. Parameters saved are idx (Index of function in list of all functions),
         cnt (counter of number to associate with functione values), ops (+, -, *, /), and maybe children.
@@ -397,7 +403,7 @@ class FitTableWidget(QtWidgets.QTableWidget):
             self.hideColumn(1)
             self.resizeColumnToContents(0)
 
-    def load(self, set_ids: list):
+    def load(self, set_ids: List[str]):
         self.blockSignals(True)
 
         while self.rowCount():
@@ -419,8 +425,7 @@ class FitTableWidget(QtWidgets.QTableWidget):
 
         self.blockSignals(False)
 
-    def collect_data(self, default=None, include_name=False):
+    def collect_data(self, default: str = None, include_name: bool = False) -> dict:
-
         data = {}
 
         for i in range(self.rowCount()):

nmreval/gui_qt/fit/fit_parameter.py

@@ -1,3 +1,7 @@
+from __future__ import annotations
+
+from typing import List
+
 from ...utils.text import convert
 from ..Qt import QtWidgets, QtCore, QtGui
 from .._py.fitfuncwidget import Ui_FormFit
@@ -50,6 +54,7 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
             self.comboBox.addItem(name, userData=sid)
             self._make_parameter(sid)
         self.comboBox.blockSignals(False)
+        self.change_data(0)
 
     def set_function(self, func, idx):
         self.func = func
@@ -71,7 +76,7 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
             if self.max_width.width() < size.width():
                 self.max_width = size
 
-            widgt.state_changed.connect(self.set_global)
+            widgt.state_changed.connect(self.make_global)
             widgt.value_requested.connect(self.look_for_value)
             widgt.value_changed.connect(self.change_global_parameter)
 
@@ -115,12 +120,14 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
                 w.add_links(parameter)
 
     @QtCore.pyqtSlot(str)
-    def change_global_parameter(self, value: str):
+    def change_global_parameter(self, value: str, idx: int = None):
+        if idx is None:
             idx = self.global_parameter.index(self.sender())
+
         self.glob_values[idx] = float(value)
         if self.data_values[self.comboBox.currentData()][idx] is None:
             self.data_parameter[idx].blockSignals(True)
-            self.data_parameter[idx].value = value
+            self.data_parameter[idx].value = float(value)
             self.data_parameter[idx].blockSignals(False)
 
     @QtCore.pyqtSlot(str, object)
@@ -138,7 +145,7 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
         idx = self.data_parameter.index(sender)
         self.data_values[self.comboBox.currentData()][idx] = value
 
-    def change_single_choice(self, argname, value, sender=None):
+    def change_single_choice(self, _, value, sender=None):
         if sender is None:
             sender = self.sender()
         idx = self.data_parameter.index(sender)
@@ -149,7 +156,7 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
         self.value_requested.emit(self.global_parameter.index(sender))
 
     @QtCore.pyqtSlot()
-    def set_global(self):
+    def make_global(self):
         # disable single parameter if it is set global, enable if global is unset
         widget = self.sender()
         idx = self.global_parameter.index(widget)
@@ -233,6 +240,7 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
                             raise ValueError(f'Parameter {g.name} is outside bounds ({lb[i]}, {ub[i]})')
                     except TypeError:
                         pass
+
                     try:
                         if p[i] < lb[i]:
                             raise ValueError(f'Parameter {g.name} is outside bounds ({lb[i]}, {ub[i]})')
@@ -250,3 +258,19 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
             data_parameter[sid] = (p, kw_p)
 
         return data_parameter, lb, ub, is_fixed, global_p, is_linked
+
+    def set_parameter(self, set_id: str | None, parameter: List[float]) -> int:
+        if set_id is None:
+            for val, g in zip(parameter, self.global_parameter):
+                if isinstance(g, SelectionWidget):
+                    continue
+                g.set_parameter(val)
+
+        else:
+            new_param = self.data_values[set_id]
+            for i in range(len(new_param)):
+                new_param[i] = parameter[i]
+
+            self.change_data(self.comboBox.currentIndex())
+
+        return len(self.global_parameter)

nmreval/gui_qt/fit/fitwindow.py

@@ -1,5 +1,10 @@
+from __future__ import annotations
+
+from functools import reduce
 from itertools import count, cycle
+from operator import add
 from string import ascii_letters
+from typing import Dict, List, Tuple
 
 from pyqtgraph import mkPen
 
@@ -9,6 +14,7 @@ from ..lib.pg_objects import PlotItem
 from ..Qt import QtGui, QtCore, QtWidgets
 from .._py.fitdialog import Ui_FitDialog
 from ...fit._meta import MultiModel, ModelFactory
+from ...fit.result import FitResult
 
 
 class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
@@ -27,7 +33,7 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
         self.parameters = {}
         self.preview_lines = []
         self._current_function = None
-        self.function_widgets = {}
+        self.param_widgets = {}
         self._management = mgmt
 
         self._current_model = next(QFitDialog.model_cnt)
@@ -63,10 +69,10 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
         """
         Remove function and children from tree and dictionary
         """
-        w = self.function_widgets[idx]
+        w = self.param_widgets[idx]
         self.stackedWidget.removeWidget(w)
         w.deleteLater()
-        del self.function_widgets[idx]
+        del self.param_widgets[idx]
 
         if len(self.functionwidget) == 0:
             # empty model
@@ -82,8 +88,8 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
         """
         Display parameter associated with selected function.
         """
-        if function_id in self.function_widgets:
+        if function_id in self.param_widgets:
-            dialog = self.function_widgets[function_id]
+            dialog = self.param_widgets[function_id]
 
         else:
             # create new widget for function
@@ -103,7 +109,7 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
             dialog.value_requested.connect(self.look_value)
 
             self.stackedWidget.addWidget(dialog)
-            self.function_widgets[function_id] = dialog
+            self.param_widgets[function_id] = dialog
 
         self.stackedWidget.setCurrentWidget(dialog)
 
@@ -114,13 +120,13 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
         # show same tab (general parameter/Data parameter)
         tab_idx = 0
         if self._current_function is not None:
-            tab_idx = self.function_widgets[self._current_function].tabWidget.currentIndex()
+            tab_idx = self.param_widgets[self._current_function].tabWidget.currentIndex()
         dialog.tabWidget.setCurrentIndex(tab_idx)
 
         self._current_function = function_id
 
-    def look_value(self, idx):
+    def look_value(self, idx: int):
-        func_widget = self.function_widgets[self._current_function]
+        func_widget = self.param_widgets[self._current_function]
         set_ids = [func_widget.comboBox.itemData(i) for i in range(func_widget.comboBox.count())]
         for s in set_ids:
             func_widget.data_values[s][idx] = self._management[s].value
@@ -132,7 +138,7 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
         self._complex[self._current_model] = self.functionwidget.get_complex_state()
         self._func_list[self._current_model] = self.functionwidget.get_parameter_list()
 
-    def load(self, ids: list):
+    def load(self, ids: List[str]):
         """
         Add name and id of dataset to list.
         """
@@ -143,7 +149,7 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
         else:
             self.data_table.add_model(self._current_model)
 
-        for dialog in self.function_widgets.values():
+        for dialog in self.param_widgets.values():
             dialog.load(ids)
 
     @QtCore.pyqtSlot(name='on_newmodel_button_clicked')
@@ -190,9 +196,9 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
 
         for m in self.models[model_id]:
             func_id = m['cnt']
-            self.stackedWidget.removeWidget(self.function_widgets[func_id])
+            self.stackedWidget.removeWidget(self.param_widgets[func_id])
 
-            self.function_widgets.pop(func_id)
+            self.param_widgets.pop(func_id)
 
         self._complex.pop(model_id)
         self._func_list.pop(model_id)
@@ -203,7 +209,8 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
         if len(self.models) == 1:
             self.model_frame.hide()
 
-    def _prepare(self, model: list, function_use=None, parameter=None, add_idx=False, cnt=0):
+    def _prepare(self, model: list, function_use: list = None,
+                 parameter: dict = None, add_idx: bool = False, cnt: int = 0) -> Tuple[dict, int]:
         if parameter is None:
             parameter = {'parameter': {}, 'lb': (), 'ub': (), 'var': [],
                          'glob': {'idx': [], 'p': [], 'var': [], 'lb': [], 'ub': []},
@@ -212,12 +219,13 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
         for i, f in enumerate(model):
             if not f['active']:
                 continue
+
             try:
-                p, lb, ub, var, glob, links = self.function_widgets[f['cnt']].get_parameter(function_use)
+                p, lb, ub, var, glob, links = self.param_widgets[f['cnt']].get_parameter(function_use)
             except ValueError as e:
                 _ = QtWidgets.QMessageBox().warning(self, 'Invalid value', str(e),
                                                     QtWidgets.QMessageBox.Ok)
-                return None, -1
+                return {}, -1
 
             p_len = len(parameter['lb'])
 
@@ -337,7 +345,6 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
 
     @QtCore.pyqtSlot(int, name='on_preview_checkbox_stateChanged')
     def show_preview(self, state: int):
-        print('state', state)
         if state:
             self.preview_button.show()
             self.preview_checkbox.setText('')
@@ -405,13 +412,9 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
                 y = f.func(x, *p, **kwargs)
                 if is_complex is None:
                     self.preview_lines.append(PlotItem(x=x, y=y, pen=mkPen(width=3)))
-
+                if is_complex in [0, 1]:
-                elif is_complex == 0:
                     self.preview_lines.append(PlotItem(x=x, y=y.real, pen=mkPen(width=3)))
-                    self.preview_lines.append(PlotItem(x=x, y=y.imag, pen=mkPen(width=3)))
+                if is_complex in [0, 2]:
-                elif is_complex == 1:
-                    self.preview_lines.append(PlotItem(x=x, y=y.real, pen=mkPen(width=3)))
-                else:
                     self.preview_lines.append(PlotItem(x=x, y=y.imag, pen=mkPen(width=3)))
 
                 if isinstance(f, MultiModel):
@@ -419,16 +422,39 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
                         pen_i = mkPen(QtGui.QColor.fromRgbF(*color[i]))
                         if is_complex is None:
                             self.preview_lines.append(PlotItem(x=x, y=s, pen=pen_i))
-                        elif is_complex == 0:
+                        if is_complex in [0, 1]:
                             self.preview_lines.append(PlotItem(x=x, y=s.real, pen=pen_i))
-                            self.preview_lines.append(PlotItem(x=x, y=s.imag, pen=pen_i))
+                        if is_complex in [0, 2]:
-                        elif is_complex == 1:
-                            self.preview_lines.append(PlotItem(x=x, y=s.real, pen=pen_i))
-                        else:
                             self.preview_lines.append(PlotItem(x=x, y=s.imag, pen=pen_i))
 
         return self.preview_lines
 
+    def set_parameter(self, parameter: Dict[str, FitResult]):
+        # which data uses which model
+        data = self.data_table.collect_data(default=self.default_combobox.currentData())
+
+        glob_fit_parameter = []
+
+        for fitted_model, fitted_data in data.items():
+            for fit_id, fit_curve in parameter.items():
+                if fit_id in fitted_data:
+                    fit_parameter = list(fit_curve.parameter.values())
+                    glob_fit_parameter.append(fit_parameter)
+
+                    self.set_parameter_iter(fit_id, [p.value for p in fit_parameter], self.models[fitted_model])
+
+            mean_parameter = [reduce(add, p)/len(p) for p in zip(*glob_fit_parameter)]
+
+            self.set_parameter_iter(None, mean_parameter, self.models[fitted_model])
+
+    def set_parameter_iter(self, fit_id: str | None, param: List[float], functions: List, cnt: int = 0):
+        for model_p in functions:
+            cnt += self.param_widgets[model_p['cnt']].set_parameter(fit_id, param[cnt:])
+            if model_p['children']:
+                cnt += self.set_parameter_iter(fit_id, param, model_p['children'], cnt=cnt)
+
+        return cnt
+
     def closeEvent(self, evt: QtGui.QCloseEvent):
         self.preview_emit.emit({}, -1, False)
         self.preview_lines = []

nmreval/gui_qt/fit/result.py

@@ -11,7 +11,7 @@ from ..lib.pg_objects import PlotItem
 
 
 class QFitResult(QtWidgets.QDialog, Ui_Dialog):
-    closed = QtCore.pyqtSignal(dict, list)
+    closed = QtCore.pyqtSignal(dict, list, str, bool, dict)
     redoFit = QtCore.pyqtSignal(dict)
 
     def __init__(self, results: list, management, parent=None):
@@ -25,7 +25,6 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
 
         for (res, parts) in results:
             idx = res.idx
-            print(parts)
             data_k = management.data[idx]
 
             if res.name not in self._models:
@@ -64,7 +63,11 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
         self.set_parameter(0)
         self.buttonBox.accepted.connect(self.accept)
 
-        self.param_tableWidget.horizontalHeader().sectionClicked.connect(self.show_results)
+        self.param_tableWidget.itemClicked.connect(self.show_results)
+        self.param_tableWidget.horizontalHeader().sectionClicked.connect(lambda i: self.show_results(None, idx=i))
+
+        self.graph_checkBox.stateChanged.connect(lambda x: self.graph_comboBox.setEnabled(x == QtCore.Qt.Unchecked))
+
         self.logy_box.stateChanged.connect(lambda x: self.fitplot.setLogMode(y=bool(x)))
 
     def add_graphs(self, graphs: list):
@@ -72,10 +75,6 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
         for (graph_id, graph_name) in graphs:
             self.graph_comboBox.addItem(graph_name, userData=graph_id)
 
-    @QtCore.pyqtSlot(int, name='on_graph_checkBox_stateChanged')
-    def change_graph(self, state: int):
-        self.graph_comboBox.setEnabled(state == QtCore.Qt.Unchecked)
-
     @QtCore.pyqtSlot(int, name='on_sets_comboBox_currentIndexChanged')
     def set_parameter(self, idx: int):
         model_name = self.sets_comboBox.itemText(idx)
@@ -109,22 +108,32 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
 
         self.param_tableWidget.resizeColumnsToContents()
         self.param_tableWidget.selectColumn(0)
-        self.show_results(0)
+        self.show_results(None, idx=0)
 
     @QtCore.pyqtSlot(int, name='on_reject_fit_checkBox_stateChanged')
     @QtCore.pyqtSlot(int, name='on_del_prev_checkBox_stateChanged')
     def change_opts(self, _):
-        idx = self.sets_comboBox.currentIndex()
+        idx = self.param_tableWidget.currentIndex().column()
 
         self._opts[idx] = (self.reject_fit_checkBox.checkState() == QtCore.Qt.Checked,
                            self.del_prev_checkBox.checkState() == QtCore.Qt.Checked)
 
-    def show_results(self, idx: int):
+    def show_results(self, item, idx=None):
+        if item is not None:
+            idx = self.param_tableWidget.indexFromItem(item).column()
+
         set_id = self.param_tableWidget.horizontalHeaderItem(idx).data(QtCore.Qt.UserRole)
         self.set_plot(set_id)
         self.set_correlation(set_id)
         self.set_statistics(set_id)
 
+        self.reject_fit_checkBox.blockSignals(True)
+        self.reject_fit_checkBox.setChecked(self._opts[idx][0])
+        self.reject_fit_checkBox.blockSignals(False)
+        self.del_prev_checkBox.blockSignals(True)
+        self.del_prev_checkBox.setChecked(self._opts[idx][1])
+        self.del_prev_checkBox.blockSignals(False)
+
     def set_plot(self, idx: str):
         res = self._results[idx]
         iscomplex = res.iscomplex
@@ -234,10 +243,19 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
             self.redoFit.emit(self._results)
 
         elif button_type == self.buttonBox.Ok:
-            graph = '' if self.graph_checkBox.checkState() == QtCore.Qt.Checked else self.graph_comboBox.currentData()
+            graph = None
-            subplots = self.partial_checkBox.checkState() == QtCore.Qt.Checked
+            if self.parameter_checkbox.isChecked():
-            self._opts.extend([graph, subplots])
+                if self.graph_checkBox.checkState() == QtCore.Qt.Checked:
-            self.closed.emit(self._results, self._opts)
+                    graph = ''
+                else:
+                    graph = self.graph_comboBox.currentData()
+
+            plot_fits = self.curve_checkbox.isChecked()
+
+            if self.partial_checkBox.checkState() == QtCore.Qt.Checked:
+                self.closed.emit(self._results, self._opts, graph, plot_fits, self._parts)
+            else:
+                self.closed.emit(self._results, self._opts, graph, plot_fits, {})
 
             self.accept()
 

nmreval/gui_qt/io/asciireader.py

@@ -15,6 +15,11 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
 
         self.reader = AsciiReader(fname)
 
+        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.ascii_table.horizontalHeader().setStretchLastSection(True)
         self.buttonbox.button(QtWidgets.QDialogButtonBox.Apply).clicked.connect(self.apply)
         self.buttonbox.button(QtWidgets.QDialogButtonBox.Ok).clicked.connect(self.accept)

nmreval/gui_qt/lib/__init__.py

@@ -61,7 +61,11 @@ def get_icon(icon_name):
 
     global HAS_IMPORTLIB_RESOURCE
 
-    dirname = 'resources.icons.%s_light' % icon_type
+    if icon_name != 'logo':
+        dirname = f'resources.icons.{icon_type}_light'
+    else:
+        dirname = 'resources.icons'
+
     if HAS_IMPORTLIB_RESOURCE:
         with path(dirname, icon_name+'.png') as imgpath:
             icon = QtGui.QIcon()

nmreval/gui_qt/lib/delegates.py

@@ -2,7 +2,7 @@ import re
 
 from ..Qt import QtWidgets, QtGui, QtCore
 
-from ...lib.colors import BaseColor, Colors
+from ...lib.colors import BaseColor, TUColors
 from ...lib.lines import LineStyle
 from ...lib.symbols import SymbolStyle, make_symbol_pixmap
 
@@ -101,12 +101,12 @@ class ColorListEditor(QtWidgets.QComboBox):
     @value.setter
     def value(self, val):
         for i in range(self.count()):
-            if val == self.itemData(i):
+            if val.name == self.itemData(i).name:
                 self.setCurrentIndex(i)
                 break
 
     def populateList(self):
-        for i, colorName in enumerate(Colors):
+        for i, colorName in enumerate(TUColors):
             color = QtGui.QColor(*colorName.value)
             self.insertItem(i, colorName.name)
             self.setItemData(i, colorName)

nmreval/gui_qt/lib/forms.py

@@ -56,7 +56,7 @@ class LineEdit(QtWidgets.QLineEdit):
 
     def contextMenuEvent(self, evt):
         menu = self.createStandardContextMenu()
-        request_action = menu.addAction('Use value of set(s)')
+        request_action = menu.addAction('Use value of sets')
 
         action = menu.exec(evt.globalPos())
 
@@ -89,9 +89,11 @@ class LineEditPost(QtWidgets.QLineEdit):
 
 
 class FormWidget(QtWidgets.QWidget):
-    types = {'float': (float, QtGui.QDoubleValidator),
+    types = {
+        'float': (float, QtGui.QDoubleValidator),
         'int': (int, QtGui.QIntValidator),
-             'str': (str, lambda: 0)}
+        'str': (str, lambda: 0),
+    }
 
     valueChanged = QtCore.pyqtSignal(object)
     stateChanged = QtCore.pyqtSignal(bool)
@@ -140,7 +142,12 @@ class FormWidget(QtWidgets.QWidget):
 
     @value.setter
     def value(self, val):
-        self.vals.setText(str(val))
+        if self._type == 'str':
+            self.vals.setText(val)
+        elif self._type == 'int':
+            self.vals.setText(f'{val:.0f}')
+        else:
+            self.vals.setText(f'{val:.5g}')
 
     def setChecked(self, enable):
         if self._checkable:

nmreval/gui_qt/lib/pg_objects.py

@@ -4,10 +4,10 @@ from pyqtgraph import (
     ErrorBarItem,
     LinearRegionItem, mkBrush,
     mkColor, mkPen,
-    PlotDataItem
+    PlotDataItem,
 )
 
-from ...lib.colors import BaseColor, Colors
+from ...lib.colors import BaseColor, Colors, TUColors
 from ...lib.lines import LineStyle
 from ...lib.symbols import SymbolStyle
 

nmreval/gui_qt/main/mainwindow.py

@@ -391,6 +391,8 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
             self.management.current_graph = wd.widget().id
             self.current_plotitem = self.current_graph_widget.graphic
 
+            self.change_mouse_mode(self.actionMouse_behaviour.isChecked())
+
             pick = False
             block = False
             if self.ptsselectwidget.isVisible():
@@ -720,6 +722,10 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
         for s in sets:
             self.datawidget.tree.move_sets(s, dest, src)
 
+    @QtCore.pyqtSlot(name='on_action_idx_cut_triggered')
+    def cut_with_idx(self):
+        print('schnippschnapp')
+
     @QtCore.pyqtSlot(str)
     def show_data_values(self, sid: str):
         if sid == '':
@@ -776,7 +782,6 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
             pass
 
         if onoff:
-            if self.management.active_sets:
             self.fit_dialog.connected_figure = self.management.current_graph
             self.fit_dialog.load(self.management.active_sets)
             for item in self.fit_dialog.preview_lines:
@@ -834,18 +839,21 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
             for item in self.fit_dialog.preview_lines:
                 g.add_external(item)
 
-            self.raise_()
-
     @QtCore.pyqtSlot(list)
     def show_fit_results(self, results: list):
         self.fit_dialog.fit_button.setEnabled(True)
         if results:
             res_dialog = QFitResult(results, self.management, parent=self)
             res_dialog.add_graphs(self.management.graphs.list())
-            res_dialog.closed.connect(self.management.make_fits)
+            res_dialog.closed.connect(self.accepts_fit)
             res_dialog.redoFit.connect(self.management.redo_fits)
             res_dialog.show()
 
+    @QtCore.pyqtSlot(dict, list, str, bool, dict)
+    def accepts_fit(self, res: dict, opts: list, param_graph: str, show_fit: bool, parts: dict) -> None:
+        self.fit_dialog.set_parameter(res)
+        self.management.make_fits(res, opts, param_graph, show_fit, parts)
+
     @QtCore.pyqtSlot(name='on_actionFunction_editor_triggered')
     def edit_models(self):
         if self.editor is None:
@@ -885,14 +893,14 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
         evt.accept()
 
     @QtCore.pyqtSlot(bool, name='on_actionMouse_behaviour_toggled')
-    def change_mouse_mode(self, is_checked):
+    def change_mouse_mode(self, is_checked: bool):
         if is_checked:
             self.current_plotitem.plotItem.vb.setMouseMode(ViewBox.RectMode)
         else:
             self.current_plotitem.plotItem.vb.setMouseMode(ViewBox.PanMode)
 
     def mousemoved(self, xpos, ypos):
-        self.mousepos.setText('x={:.3g}; y={:.3g}'.format(xpos, ypos))
+        self.mousepos.setText(f'x={xpos:.3g}; y={ypos:.3g}')
 
     @QtCore.pyqtSlot(name='on_actionSnake_triggered')
     @QtCore.pyqtSlot(name='on_actionTetris_triggered')

nmreval/gui_qt/main/management.py

@@ -9,6 +9,7 @@ from ...fit import data as fit_d
 from ...fit.model import Model
 from ...fit.result import FitResult
 from ...fit.minimizer import FitRoutine
+from ...lib.colors import TUColorsC
 from ...math.interpol import interpolate
 from ...math.logfourier import logft
 from ...math.smooth import smooth
@@ -78,8 +79,7 @@ class UpperManagement(QtCore.QObject):
     properties_collected = QtCore.pyqtSignal(dict)
     unset_state = QtCore.pyqtSignal(list)
 
-
+    _colors = cycle(TUColors)
-    _colors = cycle(Colors)
 
     _actions = {
         'ls': (ShiftCommand, 'Left shift'),
@@ -238,6 +238,11 @@ class UpperManagement(QtCore.QObject):
         # move to correct position
         self.graphs[dest].move_sets(sets, pos)
 
+    def select_window(self, gid: str):
+        for key, plot in self.graphs.items():
+            if key == gid:
+                self.window.area.setActiveSubWindow(plot.parent())
+
     @QtCore.pyqtSlot()
     @QtCore.pyqtSlot(list, str)
     def copy_sets(self, sets: list = None, src: str = None):
@@ -466,14 +471,22 @@ class UpperManagement(QtCore.QObject):
                 parameter[set_id] = (new_values, set_parameter[1])
         self.start_fit(*self.__fit_options)
 
-    @QtCore.pyqtSlot(dict, list)
+    def make_fits(self, res: dict, opts: list, param_graph: str, show_fit: bool, parts: dict) -> None:
-    def make_fits(self, res: dict, opts: list):
+        """
+
+        Args:
+            res: key is that of original data, value is FitResult
+            opts: (ignore this fits, delete previous fits)
+            param_graph: None if no parameter to plot, '' for new graph, or id of existig graph
+            show_fit: plot fit curve?
+            parts: key is that of original data, value is list of subplots
+
+        """
         f_id_list = []
         gid = ''
 
-        subplots = opts.pop(-1)
-        param_graph = opts.pop(-1)
         tobedeleted = []
+        accepted = []
         for i, (k, fit) in enumerate(res.items()):
             reject, delete_prev = opts[i]
             if reject:
@@ -493,19 +506,31 @@ class UpperManagement(QtCore.QObject):
             fit.value = data_k.value
             fit.group = data_k.group
 
+            accepted.append(fit)
+
+            if show_fit:
                 f_id = self.add(fit, color=color, src=k)
 
                 f_id_list.append(f_id)
                 data_k.set_fits(f_id)
+
             gid = data_k.graph
 
+            if k in parts and show_fit:
+                for subfunc, col in zip(parts[k], TUColorsC):
+                    sub_f_id = self.add(subfunc, color=col, linestyle=LineStyle.Dashed, symbol=SymbolStyle.No)
+                    subfunc.value = data_k.value
+                    subfunc.group = data_k.group
+                    f_id_list.append(sub_f_id)
+
         self.delete_sets(tobedeleted)
 
-        if f_id_list:
+        if accepted and param_graph is not None:
-            self.newData.emit(f_id_list, gid)
+            self.make_fit_parameter(accepted, graph_id=param_graph)
-            self.make_fit_parameter(f_id_list, graph_id=param_graph)
 
-    def make_fit_parameter(self, fit_sets: List[str], graph_id: str = None):
+        self.newData.emit(f_id_list, gid)
+
+    def make_fit_parameter(self, fit_sets: List[str | FitResult], graph_id: str = None):
         fit_dict = self._collect_fit_parameter(fit_sets)
 
         if fit_dict:
@@ -530,13 +555,18 @@ class UpperManagement(QtCore.QObject):
 
             data.data.save_parameter(fname)
 
-    def _collect_fit_parameter(self, fit_sets: List[str]) -> dict:
+    def _collect_fit_parameter(self, fit_sets: List[str | FitResult]) -> dict:
         fit_dict = {}
 
         for set_id in fit_sets:
+            if isinstance(set_id, str):
                 data = self.data[set_id]
                 if data.mode != 'fit':
                     continue
+            elif isinstance(set_id, FitResult):
+                data = set_id
+            else:
+                continue
 
             for key, pvalue in data.parameter.items():
                 name = pvalue.full_name
@@ -811,7 +841,6 @@ class UpperManagement(QtCore.QObject):
             err_msg.exec()
 
         self.sender().success = not failures
-
         self.sender().add_data(self.active_sets)
 
     @QtCore.pyqtSlot(list, dict)

nmreval/lib/colors.py

@@ -147,7 +147,7 @@ class BaseColor(enum.Enum):
         return cls((r, g, b))
 
 
-class TuColorsA(BaseColor):
+class TUColorsA(BaseColor):
     TuDa1a = (93, 133, 195)
     TuDa2a = (0, 156, 218)
     TuDa3a = (80, 182, 149)
@@ -161,7 +161,7 @@ class TuColorsA(BaseColor):
     TuDa11a = (128, 69, 151)
 
 
-class TuColorsB(BaseColor):
+class TUColorsB(BaseColor):
     TuDa1b = (0, 90, 169)
     TuDa2b = (0, 131, 204)
     TuDa3b = (0, 157, 129)
@@ -175,7 +175,7 @@ class TuColorsB(BaseColor):
     TuDa11b = (114, 16, 133)
 
 
-class TuColorsC(BaseColor):
+class TUColorsC(BaseColor):
     TuDa1c = (0, 78, 138)
     TuDa2c = (0, 104, 157)
     TuDa3c = (0, 136, 119)
@@ -243,28 +243,26 @@ class Tab20(BaseColor):
     TabBlue = (31, 119, 180)
     TabBlue2 = (174, 199, 232)
     TabOrange = (255, 127, 14)
-    TabOrange2 = (255, 127, 14)
+    TabOrange2 = (255, 187, 120)
     TabGreen = (44, 160, 44)
-    TabGreen2 = (44, 160, 44)
+    TabGreen2 = (152, 223, 138)
     TabRed = (214, 39, 40)
-    TabRed2 = (214, 39, 40)
+    TabRed2 = (255, 152, 150)
     TabPurple = (148, 103, 189)
-    TabPurple2 = (148, 103, 189)
+    TabPurple2 = (197, 176, 213)
     TabBrown = (140, 86, 75)
-    TabBrown2 = (140, 86, 75)
+    TabBrown2 = (196, 156, 148)
     TabRose = (227, 119, 194)
-    TabRose2 = (227, 119, 194)
+    TabRose2 = (247, 182, 210)
     TabGrey = (220, 220, 220)
-    TabGrey2 = (220, 220, 220)
+    TabGrey2 = (199, 199, 199)
     TabChartreuse = (188, 189, 34)
-    TabChartreuse2 = (188, 189, 34)
+    TabChartreuse2 = (219, 219, 141)
     TabTurquoise = (23, 190, 207)
-    TabTurquoise2 = (23, 190, 207)
+    TabTurquoise2 = (158, 218, 229)
 
 
 class GraceColors(BaseColor):
-    White = (255, 255, 255)
-    Black = (0, 0, 0)
     Red = (255, 0, 0)
     Green = (0, 255, 0)
     Blue = (0, 0, 255)
@@ -281,25 +279,30 @@ class GraceColors(BaseColor):
     Green4 = (0, 139, 0)
 
 
+class BlackWhite(BaseColor):
+    White = (255, 255, 255)
+    Black = (0, 0, 0)
+
+
 TUColors = enum.Enum(
     value='TUColors',
-    names={member.name: member.value for palette in [TuColorsA, TuColorsB, TuColorsC, TUColorsD, TUGrays] for member in palette},
+    names={member.name: member.value for palette in [TUColorsA, TUColorsB, TUColorsC, TUColorsD] for member in palette},
-    type=BaseColor
+    type=BaseColor,
 )
 
 Colors = enum.Enum(
     value='Colors',
-    names={member.name: member.value for palette in [TUColors, GraceColors, Tab10] for member in palette},
+    names={member.name: member.value for palette in [TUColors, TUGrays, GraceColors, Tab10, BlackWhite] for member in palette},
-    type=BaseColor
+    type=BaseColor,
 )
 
 
 def get_palettes():
     palettes = {
         'Full': Colors,
-        'TuDa:a': TuColorsA,
+        'TuDa:a': TUColorsA,
-        'TuDa:b': TuColorsB,
+        'TuDa:b': TUColorsB,
-        'TuDa:c': TuColorsC,
+        'TuDa:c': TUColorsC,
         'TuDa:d': TUColorsD,
         'Tab10': Tab10,
         'Grace': GraceColors

nmreval/utils/text.py

@@ -31,12 +31,12 @@ big_greek = [
     'Nu Xi Omicron Pi Rho Sigma Tau Ypsilon Phi Chi Psi Omega',
 ]
 special_chars = [
-    r'\infty \int \sum \langle \rangle \pm \perp \para \leftarrow \rightarrow \leftrightarrow \cdot \hbar',
+    r'\infty \int \sum \langle \rangle \pm \perp \para \leftarrow \rightarrow \leftrightarrow \cdot \hbar \n',
-    '\u221e \u222b \u2211 \u27e8 \u27e9 \u00b1 \u27c2 \u2225 \u21d0 \u21d2 \u21d4 \u00b7 \u0127',
+    '\u221e \u222b \u2211 \u27e8 \u27e9 \u00b1 \u27c2 \u2225 \u21d0 \u21d2 \u21d4 \u00b7 \u0127 <br>',
-    r'\f{Symbol}¥\f{} \f{Symbol}ò\f{} \f{Symbol}å\f{} \f{Symbol}á\f{} \f{Symbol}ñ\f{} \f{Symbol}±\f{} '
+    r'\f{Symbol}¥\f{} \f{Symbol}ò\f{} \f{Symbol}å\f{} \f{Symbol}á\f{} \f{Symbol}ñ\f{} \f{Symbol}±\f{} \n'
     r'\f{Symbol}^\f{} \f{Symbol}||\f{} \f{Symbol}¬\f{} \f{Symbol}®\f{} \f{Symbol}«\f{} \f{Symbol}×\f{Symbol} '
     r'h\h{-0.6}\v{0.3}-\v{-0.3}\h{0.3}',
-    r'infty int sum < > \+- perp para <- -> <-> \* hbar',
+    r'infty int sum < > \+- perp para <- -> <-> \* hbar \s',
 ]
 funcs = [
     r'\exp \log \ln \sin \cos \tan',

resources/_ui/fitresult.ui

@@ -39,7 +39,147 @@
      </property>
     </widget>
    </item>
-   <item row="0" column="1" rowspan="4">
+   <item row="6" column="0" colspan="2">
+    <widget class="QDialogButtonBox" name="buttonBox">
+     <property name="standardButtons">
+      <set>QDialogButtonBox::Cancel|QDialogButtonBox::Ok|QDialogButtonBox::Retry</set>
+     </property>
+    </widget>
+   </item>
+   <item row="1" column="0">
+    <widget class="QTableWidget" name="param_tableWidget">
+     <property name="horizontalScrollBarPolicy">
+      <enum>Qt::ScrollBarAsNeeded</enum>
+     </property>
+     <property name="sizeAdjustPolicy">
+      <enum>QAbstractScrollArea::AdjustIgnored</enum>
+     </property>
+     <property name="editTriggers">
+      <set>QAbstractItemView::NoEditTriggers</set>
+     </property>
+     <property name="alternatingRowColors">
+      <bool>true</bool>
+     </property>
+     <property name="selectionMode">
+      <enum>QAbstractItemView::SingleSelection</enum>
+     </property>
+     <property name="selectionBehavior">
+      <enum>QAbstractItemView::SelectColumns</enum>
+     </property>
+     <property name="showGrid">
+      <bool>false</bool>
+     </property>
+     <property name="columnCount">
+      <number>0</number>
+     </property>
+     <attribute name="horizontalHeaderStretchLastSection">
+      <bool>false</bool>
+     </attribute>
+    </widget>
+   </item>
+   <item row="5" column="0" colspan="2">
+    <widget class="QGroupBox" name="groupBox">
+     <property name="title">
+      <string>Output</string>
+     </property>
+     <layout class="QGridLayout" name="gridLayout_2">
+      <property name="leftMargin">
+       <number>3</number>
+      </property>
+      <property name="topMargin">
+       <number>3</number>
+      </property>
+      <property name="rightMargin">
+       <number>3</number>
+      </property>
+      <property name="bottomMargin">
+       <number>3</number>
+      </property>
+      <property name="spacing">
+       <number>3</number>
+      </property>
+      <item row="1" column="1">
+       <widget class="QCheckBox" name="graph_checkBox">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Maximum" vsizetype="Fixed">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+        <property name="text">
+         <string>New graph</string>
+        </property>
+        <property name="checked">
+         <bool>true</bool>
+        </property>
+       </widget>
+      </item>
+      <item row="1" column="2">
+       <widget class="QComboBox" name="graph_comboBox">
+        <property name="enabled">
+         <bool>false</bool>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="0">
+       <widget class="QCheckBox" name="curve_checkbox">
+        <property name="text">
+         <string>Plot fit curve</string>
+        </property>
+        <property name="checked">
+         <bool>true</bool>
+        </property>
+       </widget>
+      </item>
+      <item row="1" column="0">
+       <widget class="QCheckBox" name="partial_checkBox">
+        <property name="text">
+         <string>Plot partial functions</string>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="1">
+       <widget class="QCheckBox" name="parameter_checkbox">
+        <property name="text">
+         <string>Plot parameter</string>
+        </property>
+        <property name="checked">
+         <bool>true</bool>
+        </property>
+       </widget>
+      </item>
+     </layout>
+    </widget>
+   </item>
+   <item row="2" column="0">
+    <layout class="QHBoxLayout" name="horizontalLayout_2">
+     <property name="spacing">
+      <number>3</number>
+     </property>
+     <item>
+      <widget class="QCheckBox" name="reject_fit_checkBox">
+       <property name="text">
+        <string>Reject this fit</string>
+       </property>
+      </widget>
+     </item>
+     <item>
+      <widget class="QCheckBox" name="del_prev_checkBox">
+       <property name="text">
+        <string>Delete previous fits</string>
+       </property>
+      </widget>
+     </item>
+    </layout>
+   </item>
+   <item row="3" column="0" colspan="2">
+    <widget class="Line" name="line">
+     <property name="orientation">
+      <enum>Qt::Horizontal</enum>
+     </property>
+    </widget>
+   </item>
+   <item row="0" column="1" rowspan="3">
     <widget class="QToolBox" name="stack">
      <property name="sizePolicy">
       <sizepolicy hsizetype="MinimumExpanding" vsizetype="Preferred">
@@ -59,7 +199,7 @@
         <x>0</x>
         <y>0</y>
         <width>399</width>
-        <height>414</height>
+        <height>346</height>
        </rect>
       </property>
       <attribute name="label">
@@ -102,7 +242,7 @@
         <x>0</x>
         <y>0</y>
         <width>399</width>
-        <height>414</height>
+        <height>346</height>
        </rect>
       </property>
       <attribute name="label">
@@ -152,7 +292,7 @@
         <x>0</x>
         <y>0</y>
         <width>399</width>
-        <height>414</height>
+        <height>346</height>
        </rect>
       </property>
       <attribute name="label">
@@ -217,129 +357,6 @@
      </widget>
     </widget>
    </item>
-   <item row="5" column="0" colspan="2">
-    <layout class="QHBoxLayout" name="horizontalLayout">
-     <property name="spacing">
-      <number>3</number>
-     </property>
-     <item>
-      <widget class="QCheckBox" name="partial_checkBox">
-       <property name="text">
-        <string>Plot partial functions</string>
-       </property>
-      </widget>
-     </item>
-     <item>
-      <spacer name="horizontalSpacer">
-       <property name="orientation">
-        <enum>Qt::Horizontal</enum>
-       </property>
-       <property name="sizeHint" stdset="0">
-        <size>
-         <width>40</width>
-         <height>20</height>
-        </size>
-       </property>
-      </spacer>
-     </item>
-     <item>
-      <widget class="QLabel" name="label_2">
-       <property name="text">
-        <string>Location of parameters:</string>
-       </property>
-      </widget>
-     </item>
-     <item>
-      <widget class="QCheckBox" name="graph_checkBox">
-       <property name="sizePolicy">
-        <sizepolicy hsizetype="Maximum" vsizetype="Fixed">
-         <horstretch>0</horstretch>
-         <verstretch>0</verstretch>
-        </sizepolicy>
-       </property>
-       <property name="text">
-        <string>New graph</string>
-       </property>
-       <property name="checked">
-        <bool>true</bool>
-       </property>
-      </widget>
-     </item>
-     <item>
-      <widget class="QComboBox" name="graph_comboBox">
-       <property name="enabled">
-        <bool>false</bool>
-       </property>
-      </widget>
-     </item>
-    </layout>
-   </item>
-   <item row="3" column="0">
-    <widget class="Line" name="line_2">
-     <property name="orientation">
-      <enum>Qt::Horizontal</enum>
-     </property>
-    </widget>
-   </item>
-   <item row="2" column="0">
-    <layout class="QHBoxLayout" name="horizontalLayout_2">
-     <property name="spacing">
-      <number>3</number>
-     </property>
-     <item>
-      <widget class="QCheckBox" name="reject_fit_checkBox">
-       <property name="text">
-        <string>Reject this fit</string>
-       </property>
-      </widget>
-     </item>
-     <item>
-      <widget class="QCheckBox" name="del_prev_checkBox">
-       <property name="text">
-        <string>Delete previous fits</string>
-       </property>
-      </widget>
-     </item>
-    </layout>
-   </item>
-   <item row="6" column="0" colspan="2">
-    <widget class="QDialogButtonBox" name="buttonBox">
-     <property name="standardButtons">
-      <set>QDialogButtonBox::Cancel|QDialogButtonBox::Ok|QDialogButtonBox::Retry</set>
-     </property>
-    </widget>
-   </item>
-   <item row="1" column="0">
-    <widget class="QTableWidget" name="param_tableWidget">
-     <property name="horizontalScrollBarPolicy">
-      <enum>Qt::ScrollBarAsNeeded</enum>
-     </property>
-     <property name="sizeAdjustPolicy">
-      <enum>QAbstractScrollArea::AdjustIgnored</enum>
-     </property>
-     <property name="editTriggers">
-      <set>QAbstractItemView::NoEditTriggers</set>
-     </property>
-     <property name="alternatingRowColors">
-      <bool>true</bool>
-     </property>
-     <property name="selectionMode">
-      <enum>QAbstractItemView::SingleSelection</enum>
-     </property>
-     <property name="selectionBehavior">
-      <enum>QAbstractItemView::SelectColumns</enum>
-     </property>
-     <property name="showGrid">
-      <bool>false</bool>
-     </property>
-     <property name="columnCount">
-      <number>0</number>
-     </property>
-     <attribute name="horizontalHeaderStretchLastSection">
-      <bool>false</bool>
-     </attribute>
-    </widget>
-   </item>
   </layout>
  </widget>
  <customwidgets>

resources/icons/normal_light/logo.png

@@ -1 +0,0 @@
-/autohome/dominik/nmreval/resources/icons/logo.png

resources/icons/pokemon_light/logo.png

@@ -1 +0,0 @@
-/autohome/dominik/nmreval/resources/icons/logo.png