ensure those new top-levels are uh optional

esoteric-ephemera · esoteric-ephemera · commit 3c19e9a66556 · 2025-03-03T16:32:21.000-08:00
diff --git a/emmet-core/emmet/core/neb.py b/emmet-core/emmet/core/neb.py
@@ -528,7 +528,7 @@ class NebPathwayResult(BaseModel):  # type: ignore[call-arg]
         description="The chemical system for the structure without active site(s).",
     )
 
-    active_species: str = Field(
+    active_species: str | None = Field(
         None, description="The formula of the active/mobile species."
     )
 

Original file line number	Diff line number	Diff line change
`@@ -528,7 +528,7 @@ class NebPathwayResult(BaseModel): # type: ignore[call-arg]`
`528`	`528`	`description="The chemical system for the structure without active site(s).",`
`529`	`529`	`)`
`530`	`530`
`531`		`- active_species: str = Field(`
	`531`	`+ active_species: str \| None = Field(`
`532`	`532`	`None, description="The formula of the active/mobile species."`
`533`	`533`	`)`
`534`	`534`