set order is now respected for fits; fixes #161

src/gui_qt/fit/result.py

@@ -211,8 +211,6 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
         self.fit_plot.setLogMode(x=res.islog)
         self.resid_plot.setLogMode(x=res.islog)
 
-        print(self.graph_opts)
-
         if idx in self.graph_opts:
             view_range, logx, logy = self.graph_opts[idx]
             self.fit_plot.setLogMode(x=logx, y=logy)

src/gui_qt/main/management.py

@@ -302,7 +302,6 @@ class UpperManagement(QtCore.QObject):
     @QtCore.pyqtSlot()
     def delete_sets(self, rm_sets: list = None):
         rm_graphs = []
-        print(rm_sets)
 
         if rm_sets is None:
             rm_sets = self.graphs[self.current_graph].sets + [self.current_graph]
@@ -330,12 +329,10 @@ class UpperManagement(QtCore.QObject):
                 logger.warning(f'delete_sets: {k} is not in data or graph found')
 
         for gid, sid_list in rm_set_by_graph.items():
-            print('delete set')
             cmd = DeleteCommand(self.data, list(sid_list), self.graphs, gid, self.newData, self.deleteData)
             self.undostack.push(cmd)
 
         for k in rm_graphs:
-            print('delete graphs')
             cmd = DeleteGraphCommand(self.graphs, k, self.restoreGraph, self.deleteGraph)
             self.undostack.push(cmd)
 
@@ -456,6 +453,11 @@ class UpperManagement(QtCore.QObject):
 
         self.fitter.fitmethod = fit_mode
 
+        # sets are not in active order but in order they first appeared in fit dialog
+        # iterate over order of set id in active order and access parameter inside loop
+        # instead of directly looping
+        list_ids = list(self.active_id)
+
         # all-encompassing error catch
         try:
             for model_id, model_p in parameter.items():
@@ -464,18 +466,7 @@ class UpperManagement(QtCore.QObject):
 
                 m_complex = model_p['complex']
 
-                # sets are not in active order but in order they first appeared in fit dialog
-                # iterate over order of set id in active order and access parameter inside loop
-                # instead of directly looping
-                try:
-                    list_ids = list(self.active_id)
-                    set_order = [self.active_id.index(i) for i in model_p['data_parameter'].keys()]
-                except ValueError as e:
-                    raise Exception('Getting order failed') from e
-
-                for pos in set_order:
-                    set_id = list_ids[pos]
-
+                for set_id in list_ids:
                     try:
                         data_i = self.data[set_id]
                     except KeyError as e:

src/nmreval/fit/parameter.py

@@ -102,12 +102,10 @@ class Parameters(dict):
                 p._expr = expression
 
     def prepare_bounds(self):
-        print('prepare_bounds')
         original_values = list(self.values())
         for param in original_values:
             already_with_expression = False
             for mode, value in (('lower', param.lb), ('upper', param.ub)):
-                print(mode, value)
                 if already_with_expression:
                     raise ValueError('Only one boundary can be an expression')
                 already_with_expression = self.parse(param, value, bnd=mode)