ColabFit support changes

openkim · Mar 19, 2024 · 7cc3833 · 7cc3833
1 parent a62e099
commit 7cc3833
Showing 1 changed file with 10 additions and 1 deletion.
diff --git a/kliff/dataset/dataset.py b/kliff/dataset/dataset.py
@@ -224,8 +224,17 @@ def from_colabfit(
             weight=weight,
         )
         self.metadata = {
-            "data_object": data_object,
+            "do-id": data_object["colabfit-id"],
+            "co-id": fetched_configuration["colabfit-id"],
+            "pi-ids": [pi["colabfit-id"] for pi in fetched_properties],
+            "names": fetched_configuration["names"],
         }
+        # Update self.metadata with information from metadata collection 
+        md_dict = database_client.get_metadata_from_do_doc(data_object)
+        if md_dict:
+            md_dict["md-id"] = md_dict["colabfit-id"]
+            md_dict.pop("colabfit-id")
+            self.metadata.update(md_dict)
 
         return self