Update jupyter notebook for manual check

lcmd-epfl · Nov 14, 2024 · ab3d1b7 · ab3d1b7
1 parent b131b28
commit ab3d1b7
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Showing 2 changed files with 1,818 additions and 44 deletions.
diff --git a/cell2mol/final_c2m_driver.py b/cell2mol/final_c2m_driver.py
@@ -20,7 +20,7 @@ def main():
         if prefiter_cif(input_path):
             handle_cif_file(input_path, system_type, name, current_dir, debug_mode)
         else:
-            exit_with_error("g")
+            exit_with_error("CIF file is not suitable for processing")
     elif extension == ".xyz":
         handle_xyz_file(input_path, system_type, name, cell_para, current_dir, debug_mode)
     else: