Add parameter explanation for groups_col (#529)

Author: Lilly-May

pertpy/tools/_perturbation_space/_simple.py

@@ -116,6 +116,7 @@ def compute(
         self,
         adata: AnnData,
         target_col: str = "perturbation",
+        groups_col: str = None,
         layer_key: str = None,
         embedding_key: str = None,
         **kwargs,
@@ -125,6 +126,8 @@ def compute(
         Args:
             adata: Anndata object of size cells x genes
             target_col: .obs column that stores the label of the perturbation applied to each cell.
+            groups_col: Optional .obs column that stores a grouping label to consider for pseudobulk computation.
+                The summarized expression per perturbation (target_col) and group (groups_col) is computed. Defaults to None.
             layer_key: If specified pseudobulk computation is done by using the specified layer. Otherwise, computation is done with .X
             embedding_key: `obsm` key of the AnnData embedding to use for computation. Defaults to the 'X' matrix otherwise.
             **kwargs: Are passed to decoupler's get_pseuobulk.
@@ -136,11 +139,8 @@ def compute(
             >>> import pertpy as pt
             >>> mdata = pt.dt.papalexi_2021()
             >>> ps = pt.tl.PseudobulkSpace()
-            >>> ps_adata = ps.compute(mdata["rna"], target_col="gene_target", groups_col="gene_target")
+            >>> ps_adata = ps.compute(mdata["rna"], target_col="gene_target")
         """
-        if "groups_col" not in kwargs:
-            kwargs["groups_col"] = "perturbation"
-
         if layer_key is not None and embedding_key is not None:
             raise ValueError("Please, select just either layer or embedding for computation.")
 
@@ -159,7 +159,8 @@ def compute(
                 adata_emb.obs = adata.obs
                 adata = adata_emb
 
-        ps_adata = dc.get_pseudobulk(adata, sample_col=target_col, layer=layer_key, **kwargs)  # type: ignore
+        adata.obs[target_col] = adata.obs[target_col].astype("category")
+        ps_adata = dc.get_pseudobulk(adata, sample_col=target_col, layer=layer_key, groups_col=groups_col, **kwargs)  # type: ignore
 
         ps_adata.obs[target_col] = ps_adata.obs[target_col].astype("category")