Merge pull request #1677 from pyiron/list_length

decorator: Set list length only at function call
pyiron · Oct 22, 2024 · 2a76014 · 2a76014
2 parents 0163935 + 83f398f
commit 2a76014
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Showing 2 changed files with 11 additions and 3 deletions.
diff --git a/pyiron_base/project/decorator.py b/pyiron_base/project/decorator.py
@@ -18,7 +18,6 @@ def pyiron_job(
     new_hdf: bool = True,
     output_file_lst: list = [],
     output_key_lst: list = [],
-    list_length: Optional[int] = None,
 ):
     """
     Decorator to create a pyiron job object from any python function
@@ -63,6 +62,7 @@ def get_delayed_object(
         python_function: callable,
         pyiron_resource_dict: dict,
         resource_default_dict: dict,
+        list_length: Optional[int] = None,
         **kwargs,
     ):
         for k, v in resource_default_dict.items():
@@ -86,7 +86,11 @@ def get_delayed_object(
     # This is the actual decorator function that applies to the decorated function
     def pyiron_job_function(f) -> callable:
         def function(
-            *args, pyiron_project: Project, pyiron_resource_dict: dict = {}, **kwargs
+            *args,
+            pyiron_project: Project,
+            pyiron_resource_dict: dict = {},
+            list_length: Optional[int] = None,
+            **kwargs,
         ):
             resource_default_dict = {
                 "host": host,
@@ -103,6 +107,7 @@ def function(
                 pyiron_project=pyiron_project,
                 pyiron_resource_dict=pyiron_resource_dict,
                 resource_default_dict=resource_default_dict,
+                list_length=list_length,
                 **kwargs,
             )
 
@@ -119,6 +124,7 @@ def function(
             *args,
             pyiron_project: Project,
             pyiron_resource_dict: dict = {},
+            list_length: Optional[int] = None,
             **kwargs,
         ):
             resource_default_dict = {
@@ -130,6 +136,7 @@ def function(
                 pyiron_project=pyiron_project,
                 pyiron_resource_dict=pyiron_resource_dict,
                 resource_default_dict=resource_default_dict,
+                list_length=list_length,
                 **kwargs,
             )
 

diff --git a/tests/usecases/ADIS/notebook.ipynb b/tests/usecases/ADIS/notebook.ipynb
@@ -102,7 +102,7 @@
    },
    "outputs": [],
    "source": [
-    "@pyiron_job(list_length=5)\n",
+    "@pyiron_job\n",
     "def generate_structures(structure, strain_lst):\n",
     "    structure_lst = []\n",
     "    for strain in strain_lst:\n",
@@ -230,6 +230,7 @@
     "    structure=calc_mini.output.structure,\n",
     "    strain_lst=np.linspace(0.9, 1.1, number_of_strains),\n",
     "    pyiron_project=pr,\n",
+    "    list_length=number_of_strains,\n",
     ")"
    ]
   },