Fixed non nparrays.

normalizer/normalizer-system-type/systemtypenormalizer/classify_structure.py

@@ -98,13 +98,18 @@ class ClassifyStructure(object):
         else:
             # pbc = pbc[0]
             # pbc = np.array(pbc["flatData"]).reshape(pbc["shape"])
+            # nomad-xt: we already provide numpy or python data
+            pbc = np.asarray(pbc)
             # The pbc should be defined as a single-dimensional list
             if len(pbc.shape) == 2:
                 pbc = pbc[0, :]
 
+        # nomad-xt: we already provide numpy or python data
         # Transform data into numpy arrays, don't reshape to work with old code using flat arrays
         # atom_labels = np.array(atom_labels["flatData"]).reshape(atom_labels["shape"])
         # atom_pos = np.array(atom_pos["flatData"]).reshape(atom_pos["shape"])
+        atom_labels = np.asarray(atom_labels)
+        atom_pos = np.asarray(atom_pos)
 
         # No further analysis will be done if there is no cell or all periodic_dimensions are False.
         # The classification will be set to 'Atom' or 'Molecule' depending on the number of atoms.
@@ -114,7 +119,9 @@ class ClassifyStructure(object):
             else:
                 self.classification = 'Molecule / Cluster'
         else:
+            # nomad-xt: we already provide numpy or python data
             # cell = np.array(cell["flatData"]).reshape(cell["shape"])
+            cell = np.asarray(cell)
             # convert to Angstrom and numpy array
             atom_pos = self.m_to_ang * atom_pos
             cell = self.m_to_ang * cell