attr test

qiboteam · Dec 6, 2024 · 05864f3 · 05864f3
1 parent c61d946
commit 05864f3
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/src/qibochem/driver/molecule.py b/src/qibochem/driver/molecule.py
@@ -35,6 +35,7 @@ class Molecule(object):
     geometry = attr.ib(default=None, validator=attr.validators.instance_of(list))
     charge = attr.ib(default=0, validator=attr.validators.instance_of(int))
     multiplicity = attr.ib(default=1, validator=attr.validators.instance_of(int))
+    xyz_file = attr.ib(default=1, validator=attr.validators.instance_of(str))
     if xyz_file is not None:
         # Check if xyz_file exists, then fill in the Molecule attributes
         assert Path(f"{xyz_file}").exists(), f"{xyz_file} not found!"