get atoms from wfn in case no xyz

popelier-group · May 3, 2024 · 129db62 · 129db62
1 parent e9f7e01
commit 129db62
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/ichor_core_subpackage/ichor/core/files/point_directory.py b/ichor_core_subpackage/ichor/core/files/point_directory.py
@@ -66,7 +66,7 @@ def atoms(self) -> Atoms:
             return self.wfn.atoms.to_angstroms()
 
         raise FileNotFoundError(
-            f"There is no .xyz file in the current {self.__class__.__name__} instance: {self.path.absolute()}"
+            f"There is no .xyz or .wfn file in the current {self.__class__.__name__} instance: {self.path.absolute()}"
         )
 
     def atoms_from_file(self, file_with_atoms: HasAtoms) -> Atoms: