Elements

materialsproject · Jan 26, 2021 · 783f8f4 · 783f8f4
1 parent efb7b7e
commit 783f8f4
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Showing 3 changed files with 9 additions and 10,885 deletions.
diff --git a/emmet-core/emmet/core/electrode.py b/emmet-core/emmet/core/electrode.py
@@ -161,7 +161,7 @@ class ConversionElectrodeDoc(ConversionVoltagePairDoc):
         description="Returns all the adjacent Voltage Steps",
     )
 
-    working_ion: WorkingIon = Field(
+    working_ion: Element = Field(
         None,
         description="The working ion as an Element object",
     )
@@ -242,7 +242,7 @@ class StructureGroupDoc(BaseModel):
         None, description="The formula of the host framework."
     )
 
-    working_ion: WorkingIon = Field(None, description="The working ion")
+    working_ion: Element = Field(None, description="The working ion")
 
     chemsys: str = Field(
         None,

diff --git a/tests/emmet-core/test_electrodes.py b/tests/emmet-core/test_electrodes.py
@@ -22,7 +22,6 @@
 def insertion_elec(test_dir):
     """
     Recycle the test cases from pymatgen
-    TODO: All thie can be serialized in battery_data.json after PR to pymatgen
     """
     entry_Li = ComputedEntry("Li", -1.90753119)
     entry_Mg = loadfn(test_dir / "Mg_batt.json")
@@ -59,7 +58,9 @@ def conversion_elec(test_dir):
             working_ion = "Li"
         elif f in ["MnO2"]:
             working_ion = "Mg"
-        c = ConversionElectrode.from_composition_and_entries(Composition(f), entries, working_ion_symbol=working_ion)
+        c = ConversionElectrode.from_composition_and_entries(
+            Composition(f), entries, working_ion_symbol=working_ion
+        )
         conversion_eletrodes[f] = {
             "working_ion": working_ion,
             "CE": c,
@@ -117,7 +118,10 @@ def test_ConversionDocs(conversion_elec):
             assert vp.average_voltage == sub_elec.get_average_voltage()
 
         vp = ConversionElectrodeDoc.from_composition_and_entries(
-            Composition(k), entries=elec["entries"], working_ion_symbol=elec["working_ion"], task_id="mp-1234",
+            Composition(k),
+            entries=elec["entries"],
+            working_ion_symbol=elec["working_ion"],
+            task_id="mp-1234",
         )
         res_d = vp.dict()
         for k, v in expected.items():