check if Default.agr knows what a graph is; helps with #124

src/nmreval/fit/minimizer.py

@@ -278,7 +278,7 @@ class FitRoutine(object):
             data._model = self.fit_model
             self._no_own_model.append(data)
 
-        data.parameter.prepare_bounds()
+        # data.parameter.prepare_bounds()
 
         return self._prep_parameter(data.parameter)
 
@@ -309,7 +309,7 @@ class FitRoutine(object):
             for k, v in data.model.parameter.items():
                 data.replace_parameter(k, v)
 
-            data.parameter.prepare_bounds()
+            # data.parameter.prepare_bounds()
 
             actual_pars = []
             for i, p_k in enumerate(data.para_keys):

src/nmreval/io/graceeditor.py

@@ -207,6 +207,9 @@ class GraceEditor:
 
                         self.graphs[-1].append(line)
 
+        if len(self.defaults.graphs) == 0:
+            raise ValueError(f'Default Grace file in {config_paths().joinpath("Default.agr")} has no information about graphs, please replace this file')
+
         self._fix_tuda_colors()
 
     def _make_graph(self, line: str):