Merge pull request #389 from ISISNeutronMuon/chi/group-level-configur…

…ator-fix Group level configurator fix
ISISNeutronMuon · Mar 25, 2024 · f6de82b · f6de82b
2 parents dc6dc0d + 775220a
commit f6de82b
Showing 1 changed file with 2 additions and 4 deletions.
diff --git a/MDANSE/Src/MDANSE/Framework/Configurators/GroupingLevelConfigurator.py b/MDANSE/Src/MDANSE/Framework/Configurators/GroupingLevelConfigurator.py
@@ -110,17 +110,15 @@ def configure(self, value):
         trajConfig = self._configurable[self._dependencies["trajectory"]]
         atomSelectionConfig = self._configurable[self._dependencies["atom_selection"]]
 
-        allAtoms = sorted_atoms(trajConfig["chemical_system"].atom_list)
+        allAtoms = sorted_atoms(trajConfig["instance"].chemical_system.atom_list)
 
         groups = collections.OrderedDict()
         for i in range(atomSelectionConfig["selection_length"]):
             idx = atomSelectionConfig["indexes"][i][0]
             el = atomSelectionConfig["elements"][i][0]
             mass = atomSelectionConfig["masses"][i][0]
             at = allAtoms[idx]
-            lvl = LEVELS[value][
-                at.top_level_chemical_entity().__class__.__name__.lower()
-            ]
+            lvl = LEVELS[value][at.top_level_chemical_entity.__class__.__name__.lower()]
             parent = self.find_parent(at, lvl)
             d = groups.setdefault(parent, {})
             d.setdefault("indexes", []).append(idx)