Make chemical formula generation and normalization of atom types cond…

…itional

src/nomad_simulations/schema_packages/model_system.py

@@ -1,4 +1,5 @@
 import re
+import sys
 from typing import TYPE_CHECKING, Optional
 
 import ase
@@ -1304,11 +1305,16 @@ def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
                     sec_symmetry = self.m_create(Symmetry)
                     sec_symmetry.normalize(archive, logger)
 
+        print(self.model_system)
+        print(self.cell[0])
+        print(self.cell[0].particles_state[0].particle_type)
+        sys.exit()
         # Creating and normalizing ChemicalFormula section
-        # TODO add support for fractional formulas (possibly add `AtomicCell.concentrations` for each species)
-        sec_chemical_formula = self.m_create(ChemicalFormula)
-        sec_chemical_formula.normalize(archive, logger)
-        if sec_chemical_formula.m_cache:
-            self.elemental_composition = sec_chemical_formula.m_cache.get(
-                'elemental_composition', []
-            )
+        if self.cell[0].name == 'AtomicCell':
+            # TODO add support for fractional formulas (possibly add `AtomicCell.concentrations` for each species)
+            sec_chemical_formula = self.m_create(ChemicalFormula)
+            sec_chemical_formula.normalize(archive, logger)
+            if sec_chemical_formula.m_cache:
+                self.elemental_composition = sec_chemical_formula.m_cache.get(
+                    'elemental_composition', []
+                )