SOF-6927: add optional label to atomic symbol for spin magnetic calcu…

…lation.
Exabyte-io · Mar 2, 2024 · 7f1278c · 7f1278c
1 parent 60d6c08
commit 7f1278c
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Showing 3 changed files with 6 additions and 3 deletions.
diff --git a/package-lock.json b/package-lock.json
diff --git a/schema/properties_directory/structural/basis/atomic_element.json b/schema/properties_directory/structural/basis/atomic_element.json
@@ -17,6 +17,10 @@
         },
         "oxidationState": {
             "type": "number"
+        },
+        "label": {
+            "description": "Optional numeric label (e.g., 1, 2, as in Fe1, Fe2) to distinguish same atomic species to attach different spin magnetic moment.",
+            "type": "number"
         }
     },
     "required": [

diff --git a/src/py/mat3ra/esse/data/schemas.py b/src/py/mat3ra/esse/data/schemas.py