store material_id as entry_id and task_id in data

materialsproject · Sep 29, 2020 · 903077d · 903077d
1 parent 65776de
commit 903077d
Showing 1 changed file with 6 additions and 3 deletions.
diff --git a/emmet-builders/emmet/builders/vasp/materials.py b/emmet-builders/emmet/builders/vasp/materials.py
@@ -423,9 +423,12 @@ def _structure_eval(task: Dict):
                 doc for doc in structure_calcs if doc[self.tasks.key] in rt_tasks
             ]
             if len(relevant_calcs) > 0:
-                entries[rt] = task_doc_to_entry(
+                entry_dict = task_doc_to_entry(
                     sorted(relevant_calcs, key=_structure_eval)[0]
                 )
+                entry_dict["data"]["task_id"] = entry_dict["entry_id"]
+                entry_dict["entry_id"] = material_id
+                entries[rt] = ComputedEntry.from_dict(entry_dict)
 
         # Warnings
         # TODO: What warning should we process?
@@ -462,7 +465,7 @@ def ID_to_int(s_id: str) -> int:
         return None
 
 
-def task_doc_to_entry(task_doc: Dict) -> ComputedEntry:
+def task_doc_to_entry(task_doc: Dict) -> Dict:
     """ Turns a Task Doc into a ComputedEntry"""
 
     struc = Structure.from_dict(task_doc["output"]["structure"])
@@ -481,4 +484,4 @@ def task_doc_to_entry(task_doc: Dict) -> ComputedEntry:
         },
     }
 
-    return ComputedEntry.from_dict(entry_dict)
+    return entry_dict