Reset index in clusters df

rashatwi · rashatwi · commit b47ccdaa6bf7 · 2024-03-04T13:54:01.000-05:00
diff --git a/mdproptools/structural/cluster_analysis.py b/mdproptools/structural/cluster_analysis.py
@@ -450,7 +450,7 @@ def get_unique_configurations(
                 "configurations"
             )
         merge_cols = [i for i in list(df.columns) if i.startswith("atoms_")]
-        df = df.sort_values("cluster")
+        df = df.sort_values("cluster").reset_index(drop=True)
         top_config = top_config.merge(
             df[["cluster"] + merge_cols], on=merge_cols
         ).drop_duplicates(merge_cols)

Original file line number	Diff line number	Diff line change
`@@ -450,7 +450,7 @@ def get_unique_configurations(`
`450`	`450`	`"configurations"`
`451`	`451`	`)`
`452`	`452`	`merge_cols = [i for i in list(df.columns) if i.startswith("atoms_")]`
`453`		`- df = df.sort_values("cluster")`
	`453`	`+ df = df.sort_values("cluster").reset_index(drop=True)`
`454`	`454`	`top_config = top_config.merge(`
`455`	`455`	`df[["cluster"] + merge_cols], on=merge_cols`
`456`	`456`	`).drop_duplicates(merge_cols)`