use Parameter when collecting fit values

src/gui_qt/fit/fit_parameter.py

@@ -1,5 +1,8 @@
 from __future__ import annotations
 
+from typing import Optional
+
+from nmreval.fit.parameter import Parameter
 from nmreval.utils.text import convert
 
 from ..Qt import QtWidgets, QtCore, QtGui
@@ -62,8 +65,7 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
         self.glob_values = [1] * len(func.params)
 
         for k, v in enumerate(func.params):
-            name = convert(v)
-            widgt = FitModelWidget(label=name, parent=self.scrollwidget)
+            widgt = FitModelWidget(label=v, parent=self.scrollwidget)
             widgt.parameter_pos = k
             widgt.func_idx = idx
             try:
@@ -83,7 +85,7 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
             self.global_parameter.append(widgt)
             self.scrollwidget.layout().addWidget(widgt)
 
-            widgt2 = ParameterSingleWidget(name=name, parent=self.scrollwidget2)
+            widgt2 = ParameterSingleWidget(name=v, parent=self.scrollwidget2)
             widgt2.valueChanged.connect(self.change_single_parameter)
             widgt2.removeSingleValue.connect(self.change_single_parameter)
             widgt2.installEventFilter(self)
@@ -206,62 +208,51 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
         if sid not in self.data_values:
             self.data_values[sid] = [None] * len(self.data_parameter)
 
-    def get_parameter(self, use_func=None):
+    def get_parameter(self, use_func=None) -> tuple[dict[str, list[Parameter]], list[Optional[Parameter]]]:
         bds = []
         is_global = []
         is_fixed = []
-        globs = []
+
+        param_general = []
 
         for g in self.global_parameter:
             if isinstance(g, FitModelWidget):
                 p_i, bds_i, fixed_i, global_i = g.get_parameter()
+                parameter_i = Parameter(name=g.name, value=p_i, lb=bds_i[0], ub=bds_i[1], var=fixed_i)
+                param_general.append(parameter_i)
 
-                globs.append(p_i)
                 bds.append(bds_i)
                 is_fixed.append(fixed_i)
                 is_global.append(global_i)
 
-        lb, ub = list(zip(*bds))
-
         data_parameter = {}
         if use_func is None:
             use_func = list(self.data_values.keys())
 
-        global_p = None
         for sid, parameter in self.data_values.items():
             if sid not in use_func:
                 continue
 
             kw_p = {}
             p = []
-            if global_p is None:
-                global_p = {'value': [], 'idx': [], 'var': [], 'ub': [], 'lb': []}
 
             for i, (p_i, g) in enumerate(zip(parameter, self.global_parameter)):
                 if isinstance(g, FitModelWidget):
-                    if (p_i is None) or is_global[i]:
-                        p.append(globs[i])
-                        if is_global[i]:
-                            if i not in global_p['idx']:
-                                global_p['value'].append(globs[i])
-                                global_p['idx'].append(i)
-                                global_p['var'].append(is_fixed[i])
-                                global_p['ub'].append(ub[i])
-                                global_p['lb'].append(lb[i])
+                    if p_i is None:
+                        # set has no oen value
+                        p.append(param_general[i].copy())
                     else:
-                        p.append(p_i)
+                        lb, ub = bds[i]
+                        try:
+                            if not (lb < p[i] < ub):
+                                raise ValueError(f'Parameter {g.name} is outside bounds ({lb}, {ub})')
+                        except TypeError:
+                            pass
 
-                    try:
-                        if p[i] > ub[i]:
-                            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]})')
-                    except TypeError:
-                        pass
+                        # create Parameter
+                        p.append(
+                            Parameter(name=g.name, value=p_i, lb=lb, ub=ub, var=is_fixed[i])
+                        )
 
                 else:
                     if p_i is None:
@@ -271,9 +262,17 @@ class QFitParameterWidget(QtWidgets.QWidget, Ui_FormFit):
                     else:
                         kw_p[g.argname] = p_i
 
+            global_parameter = []
+            for param, global_flag in zip(param_general, is_global):
+                if global_flag:
+                    global_parameter.append(param)
+                else:
+                    global_parameter.append(None)
+
+
             data_parameter[sid] = (p, kw_p)
 
-        return data_parameter, lb, ub, is_fixed, global_p
+        return data_parameter, global_parameter
 
     def set_parameter(self, set_id: str | None, parameter: list[float]) -> int:
         num_parameter = list(filter(lambda g: not isinstance(g, SelectionWidget), self.global_parameter))
@@ -304,7 +303,7 @@ class ParameterSingleWidget(QtWidgets.QWidget):
 
         self._init_ui()
 
-        self._name = name
+        self.name = name
         self.label.setText(convert(name))
         self.label.setToolTip('If this is bold then this parameter is only for this data. '
                               'Otherwise, the general parameter is used and displayed')