Merge branch 'fit'

src/gui_qt/fit/fit_parameter.py

@@ -181,6 +181,7 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
         for i, value in enumerate(self.data_values[sid]):
             w = self.data_parameter[i]
             w.blockSignals(True)
+            w.show_as_local_parameter(value is not None)
             if value is None:
                 w.value = self.glob_values[i]
             else:
@@ -293,6 +294,7 @@ class ParameterSingleWidget(QtWidgets.QWidget):
 
         self._name = name
         self.label.setText(convert(name))
+        self.label.setToolTip('IIf 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)
@@ -309,10 +311,12 @@ class ParameterSingleWidget(QtWidgets.QWidget):
         layout.addSpacerItem(QtWidgets.QSpacerItem(0, 0, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum))
 
         self.value_line = QtWidgets.QLineEdit(self)
+        self.value_line.textEdited.connect(lambda x: self.show_as_local_parameter(True))
         layout.addWidget(self.value_line)
 
         self.reset_button = QtWidgets.QToolButton(self)
         self.reset_button.setText('Use global')
+        self.reset_button.clicked.connect(lambda: self.show_as_local_parameter(False))
         layout.addWidget(self.reset_button)
 
         self.setLayout(layout)
@@ -327,3 +331,9 @@ class ParameterSingleWidget(QtWidgets.QWidget):
     @value.setter
     def value(self, val):
         self.value_line.setText(f'{float(val):.5g}')
+
+    def show_as_local_parameter(self, is_local):
+        if is_local:
+            self.label.setStyleSheet('font-weight: bold;')
+        else:
+            self.label.setStyleSheet('')

src/gui_qt/fit/result.py

@@ -113,8 +113,8 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
 
         res = self._results[set_id]
         self.param_tableWidget.setRowCount(len(res.parameter))
-        for j, pvalue in enumerate(res.parameter.values()):
+        for j, (pkey, pvalue) in enumerate(res.parameter.items()):
-            name = pvalue.name
+            name = pkey
             p_header = QtWidgets.QTableWidgetItem(convert(name, 'tex', 'str', brackets=True))
             self.param_tableWidget.setVerticalHeaderItem(j, p_header)
 

src/gui_qt/main/management.py

@@ -653,12 +653,10 @@ class UpperManagement(QtCore.QObject):
             else:
                 continue
 
-            for key, pvalue in data.parameter.items():
+            for fit_key, pvalue in data.parameter.items():
-                name = pvalue.full_name
-                fit_key = key + data.model_name
 
                 if fit_key not in fit_dict:
-                    fit_dict[fit_key] = [[], name]
+                    fit_dict[fit_key] = [[], fit_key]
 
                 err = 0 if pvalue.error is None else pvalue.error
 

src/nmreval/fit/_meta.py

@@ -68,6 +68,7 @@ class MultiModel:
         self._kwargs_right = {}
         self._kwargs_left = {}
         self.fun_kwargs = {}
+        self.idx = (left_idx, right_idx)
 
         # mapping kwargs to kwargs of underlying functions
         self._ext_int_kw = {}
@@ -178,13 +179,13 @@ class MultiModel:
         if isinstance(self._left, MultiModel):
             yield from self._left.sub_name()
         elif hasattr(self._left, 'name'):
-            yield self._left.name
+            yield f'{self._left.name}({self.idx[0]})'
         else:
             yield self.name + '(lhs)'
 
         if isinstance(self._right, MultiModel):
             yield from self._right.sub_name()
         elif hasattr(self._right, 'name'):
-            yield self._right.name
+            yield f'{self._right.name}({self.idx[1]})'
         else:
             yield self.name + '(rhs)'

src/nmreval/fit/result.py

@@ -63,9 +63,23 @@ class FitResultCreator:
         parameters = OrderedDict([(k, v) for k, v in zip(pnames, p)])
         p_final = [p.value for p in parameters.values()]
 
-        _y = model.func(p_final, _x, **fun_kwargs)
         resid = model.func(p_final, x_orig, **fun_kwargs) - y_orig
 
+        actual_mode = -1
+        if 'complex_mode' in fun_kwargs:
+            actual_mode = fun_kwargs['complex_mode']
+            fun_kwargs['complex_mode'] = 0
+
+        _y = model.func(p_final, _x, **fun_kwargs)
+
+        if not actual_mode < 0:
+            if actual_mode == 1:
+                _y.imag = 0
+            elif actual_mode == 2:
+                _y.real = 0
+
+            fun_kwargs['complex_mode'] = actual_mode
+
         stats = FitResultCreator.calc_statistics(_y, resid, nobs, nvar)
         varied = [p.var for p in parameters.values()]
 
@@ -356,20 +370,47 @@ class FitResult(Points):
 
     def with_new_x(self, x_values):
         if self.func is None:
-            raise ValueError('no fit function available to calcualate new y values')
+            raise ValueError('no fit function available to calculate new y values')
+
+        actual_mode = -1
+        if 'complex_mode' in self.fun_kwargs:
+            actual_mode = self.fun_kwargs['complex_mode']
+            self.fun_kwargs['complex_mode'] = 0
 
         new_fit = self.copy()
         y_values = self.func.func(self.p_final, x_values, **self.fun_kwargs)
+        if not actual_mode < 0:
+            if actual_mode == 1:
+                y_values.imag = 0
+            elif actual_mode == 2:
+                y_values.real = 0
+
+            self.fun_kwargs['complex_mode'] = actual_mode
+
         new_fit.set_data(x_values, y_values)
 
         return new_fit
 
     def sub(self, x_values):
         part_functions = []
+        actual_mode = -1
+        if 'complex_mode' in self.fun_kwargs:
+            actual_mode = self.fun_kwargs['complex_mode']
+            self.fun_kwargs['complex_mode'] = 0
+
         for sub_name, sub_y in zip(self.func.sub_name(), self.func.sub(self.p_final, x_values, **self.fun_kwargs)):
-            if np.iscomplexobj(sub_y):
+            if not actual_mode < 0:
+                if actual_mode == 1:
+                    sub_y.imag = 0
+                elif actual_mode == 2:
+                    sub_y.real = 0
+
                 part_functions.append(Signal(x_values, sub_y, name=sub_name))
+
             else:
                 part_functions.append(Points(x_values, sub_y, name=sub_name))
 
-        return part_functions
+        if actual_mode < 0:
+            self.fun_kwargs['complex_mode'] = actual_mode
+
+        return part_functions