throw warnings if inputfile is non-exist

deepmodeling · Oct 23, 2024 · 78bab7e · 78bab7e
1 parent 0a1bb76
commit 78bab7e
Showing 1 changed file with 5 additions and 1 deletion.
diff --git a/dpdata/lammps/dump.py b/dpdata/lammps/dump.py
@@ -211,9 +211,13 @@ def get_spin_keys(inputfile):
     list or None
         List of spin info keys if found, None otherwise.
     """
-    if inputfile is None or not os.path.isfile(inputfile):
+    if inputfile is None: 
         return None
 
+    if not os.path.isfile(inputfile):
+        warnings.warn(f"Input file {inputfile} not found.")
+        return None
+
     with open(inputfile) as f:
         for line in f.readlines():
             ls = line.split()