fit: reset of single start parameter possible

fitresult: log x added; better preview color in result

nmreval/gui_qt/_py/fitresult.py

@@ -1,10 +1,11 @@
 # -*- coding: utf-8 -*-
 
-# Form implementation generated from reading ui file 'resources/_ui/fitresult.ui'
+# Form implementation generated from reading ui file './resources/_ui/fitresult.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
@@ -100,17 +101,21 @@ class Ui_Dialog(object):
         self.page = QtWidgets.QWidget()
         self.page.setGeometry(QtCore.QRect(0, 0, 399, 346))
         self.page.setObjectName("page")
-        self.verticalLayout = QtWidgets.QVBoxLayout(self.page)
+        self.gridLayout_3 = QtWidgets.QGridLayout(self.page)
-        self.verticalLayout.setContentsMargins(3, 3, 3, 3)
+        self.gridLayout_3.setContentsMargins(3, 3, 3, 3)
-        self.verticalLayout.setSpacing(3)
+        self.gridLayout_3.setSpacing(3)
-        self.verticalLayout.setObjectName("verticalLayout")
+        self.gridLayout_3.setObjectName("gridLayout_3")
-        self.graphicsView = GraphicsLayoutWidget(self.page)
-        self.graphicsView.setObjectName("graphicsView")
-        self.verticalLayout.addWidget(self.graphicsView)
         self.logy_box = QtWidgets.QCheckBox(self.page)
         self.logy_box.setLayoutDirection(QtCore.Qt.RightToLeft)
         self.logy_box.setObjectName("logy_box")
-        self.verticalLayout.addWidget(self.logy_box)
+        self.gridLayout_3.addWidget(self.logy_box, 2, 1, 1, 1)
+        self.logx_box = QtWidgets.QCheckBox(self.page)
+        self.logx_box.setLayoutDirection(QtCore.Qt.RightToLeft)
+        self.logx_box.setObjectName("logx_box")
+        self.gridLayout_3.addWidget(self.logx_box, 2, 0, 1, 1)
+        self.graphicsView = GraphicsLayoutWidget(self.page)
+        self.graphicsView.setObjectName("graphicsView")
+        self.gridLayout_3.addWidget(self.graphicsView, 0, 0, 1, 2)
         self.stack.addItem(self.page, "")
         self.page_2 = QtWidgets.QWidget()
         self.page_2.setGeometry(QtCore.QRect(0, 0, 399, 346))
@@ -173,6 +178,7 @@ class Ui_Dialog(object):
         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.logx_box.setText(_translate("Dialog", "logarithmic x axis"))
         self.stack.setItemText(self.stack.indexOf(self.page), _translate("Dialog", "Plot"))
         self.stack.setItemText(self.stack.indexOf(self.page_2), _translate("Dialog", "Statistics"))
         item = self.corr_tableWidget.horizontalHeaderItem(0)

nmreval/gui_qt/fit/fit_parameter.py

@@ -1,11 +1,9 @@
 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
-from ..lib.forms import FormWidget, SelectionWidget
+from ..lib.forms import SelectionWidget
 from .fit_forms import FitModelWidget
 
 
@@ -83,8 +81,9 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
             self.global_parameter.append(widgt)
             self.scrollwidget.layout().addWidget(widgt)
 
-            widgt2 = FormWidget(name=name, fixable=False, parent=self.scrollwidget2)
+            widgt2 = ParameterSingleWidget(name=name, parent=self.scrollwidget2)
             widgt2.valueChanged.connect(self.change_single_parameter)
+            widgt2.removeSingleValue.connect(self.change_single_parameter)
             widgt2.installEventFilter(self)
             self.scrollwidget2.layout().addWidget(widgt2)
             self.data_parameter.append(widgt2)
@@ -139,11 +138,14 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
             self.data_parameter[idx].value = value
             self.data_parameter[idx].blockSignals(False)
 
-    def change_single_parameter(self, value, sender=None):
+    def change_single_parameter(self, value: float = None, sender=None):
         if sender is None:
             sender = self.sender()
         idx = self.data_parameter.index(sender)
         self.data_values[self.comboBox.currentData()][idx] = value
+        # look for global parameter values if value is reset, ie None
+        if value is None:
+            self.change_data(self.comboBox.currentIndex())
 
     def change_single_choice(self, _, value, sender=None):
         if sender is None:
@@ -259,7 +261,7 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
 
         return data_parameter, lb, ub, is_fixed, global_p, is_linked
 
-    def set_parameter(self, set_id: str | None, parameter: List[float]) -> int:
+    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):
@@ -274,3 +276,50 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
             self.change_data(self.comboBox.currentIndex())
 
         return len(self.global_parameter)
+
+
+class ParameterSingleWidget(QtWidgets.QWidget):
+    valueChanged = QtCore.pyqtSignal(object)
+    removeSingleValue = QtCore.pyqtSignal()
+
+    def __init__(self, name: str, parent=None):
+        super().__init__(parent=parent)
+
+        self._init_ui()
+
+        self._name = name
+        self.label.setText(convert(name))
+
+        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)
+        self.reset_button.clicked.connect(lambda x: self.removeSingleValue.emit())
+
+    def _init_ui(self):
+        layout = QtWidgets.QHBoxLayout(self)
+        layout.setContentsMargins(2, 2, 2, 2)
+        layout.setSpacing(2)
+
+        self.label = QtWidgets.QLabel(self)
+        layout.addWidget(self.label)
+
+        layout.addSpacerItem(QtWidgets.QSpacerItem(0, 0, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum))
+
+        self.value_line = QtWidgets.QLineEdit(self)
+        layout.addWidget(self.value_line)
+
+        self.reset_button = QtWidgets.QToolButton(self)
+        self.reset_button.setText('Use global')
+        layout.addWidget(self.reset_button)
+
+        self.setLayout(layout)
+
+    @property
+    def value(self) -> float:
+        try:
+            return float(self.value_line.text().replace(',', '.'))
+        except ValueError:
+            return 0.0
+
+    @value.setter
+    def value(self, val):
+        self.value_line.setText(f'{float(val):.5g}')

nmreval/gui_qt/fit/result.py

@@ -42,7 +42,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
 
         self.residplot = self.graphicsView.addPlot(row=0, col=0)
         self.resid_graph = PlotItem(x=[], y=[],
-                                    symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(174, 199, 232)),
+                                    symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)),
                                     pen=None)
         self.resid_graph_imag = PlotItem(x=[], y=[],
                                          symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)),
@@ -53,7 +53,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
 
         self.fitplot = self.graphicsView.addPlot(row=1, col=0)
         self.data_graph = PlotItem(x=[], y=[],
-                                   symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(174, 199, 232)),
+                                   symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)),
                                    pen=None)
         self.data_graph_imag = PlotItem(x=[], y=[],
                                         symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)),
@@ -83,6 +83,8 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
         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)))
+        self.logx_box.stateChanged.connect(lambda x: self.fitplot.setLogMode(x=bool(x)))
+        self.residplot.setXLink(self.fitplot)
 
     def add_graphs(self, graphs: list):
         self.graph_comboBox.clear()

nmreval/gui_qt/graphs/graphwindow.py

@@ -228,7 +228,7 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
 
             if self.real_button.isChecked():
                 item = self.real_plots[a]
-                if item not in self.graphic.items():
+                if (item is not None) and  item not in self.graphic.items():
                     self.graphic.addItem(item)
 
             if self.error_button.isChecked():
@@ -256,12 +256,10 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
     def set_imag_visible(self, visible: bool):
         if self.sender() == self.real_button:
             plots = self.real_plots
-            other = self.imag_plots
             if self.error_button.isChecked() and not visible:
                 self.error_button.setChecked(False)
         else:
             plots = self.imag_plots
-            other = self.real_plots
 
         if visible:
             func = self.graphic.addItem
@@ -270,8 +268,7 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
 
         for a in self.active:
             item = plots[a]
-            other_item = other[a]
+            if item is not None:
-            if (item is not None) and (other_item is not None):
                 func(item)
 
         self.show_legend()

nmreval/gui_qt/lib/forms.py

@@ -117,15 +117,13 @@ class FormWidget(QtWidgets.QWidget):
 
     def _init_ui(self):
         layout = QtWidgets.QHBoxLayout(self)
-        layout.setContentsMargins(2, 2, 2, 2)
+        layout.setContentsMargins(1, 1, 1, 1)
-        layout.setSpacing(2)
+        layout.setSpacing(3)
 
         self.label = QtWidgets.QLabel(self)
         layout.addWidget(self.label)
 
-        layout.addSpacerItem(QtWidgets.QSpacerItem(20, 20,
+        layout.addSpacerItem(QtWidgets.QSpacerItem(0, 0, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum))
-                                                   QtWidgets.QSizePolicy.Expanding,
-                                                   QtWidgets.QSizePolicy.Minimum))
 
         self.vals = QtWidgets.QLineEdit(self)
         layout.addWidget(self.vals)

resources/_ui/fitresult.ui

@@ -205,10 +205,7 @@
       <attribute name="label">
        <string>Plot</string>
       </attribute>
-      <layout class="QVBoxLayout" name="verticalLayout">
+      <layout class="QGridLayout" name="gridLayout_3">
-       <property name="spacing">
-        <number>3</number>
-       </property>
        <property name="leftMargin">
         <number>3</number>
        </property>
@@ -221,10 +218,10 @@
        <property name="bottomMargin">
         <number>3</number>
        </property>
-       <item>
+       <property name="spacing">
-        <widget class="GraphicsLayoutWidget" name="graphicsView"/>
+        <number>3</number>
-       </item>
+       </property>
-       <item>
+       <item row="2" column="1">
         <widget class="QCheckBox" name="logy_box">
          <property name="layoutDirection">
           <enum>Qt::RightToLeft</enum>
@@ -234,6 +231,19 @@
          </property>
         </widget>
        </item>
+       <item row="2" column="0">
+        <widget class="QCheckBox" name="logx_box">
+         <property name="layoutDirection">
+          <enum>Qt::RightToLeft</enum>
+         </property>
+         <property name="text">
+          <string>logarithmic x axis</string>
+         </property>
+        </widget>
+       </item>
+       <item row="0" column="0" colspan="2">
+        <widget class="GraphicsLayoutWidget" name="graphicsView"/>
+       </item>
       </layout>
      </widget>
      <widget class="QWidget" name="page_2">