allowing it to work in more contexts

scdataloader/collator.py

@@ -23,7 +23,7 @@ def __init__(
         class_names: list[str] = [],
         genelist: list[str] = [],
         downsample: Optional[float] = None,  # don't use it for training!
-        save_output: bool = False,
+        save_output: Optional[str] = None,
     ):
         """
         This class is responsible for collating data for the scPRINT model. It handles the
@@ -59,7 +59,7 @@ def __init__(
                 If [] all genes will be considered
             downsample (float, optional): Downsample the profile to a certain number of cells. Defaults to None.
                 This is usually done by the scPRINT model during training but this option allows you to do it directly from the collator
-            save_output (bool, optional): If True, saves the output to a file. Defaults to False.
+            save_output (str, optional): If not None, saves the output to a file. Defaults to None.
                 This is mainly for debugging purposes
         """
         self.organisms = organisms
@@ -237,8 +237,8 @@ def __call__(self, batch) -> dict[str, Tensor]:
             ret.update({"dataset": Tensor(dataset).to(long)})
         if self.downsample is not None:
             ret["x"] = downsample_profile(ret["x"], self.downsample)
-        if self.save_output:
-            with open("collator_output.txt", "a") as f:
+        if self.save_output is not None:
+            with open(self.save_output, "a") as f:
                 np.savetxt(f, ret["x"].numpy())
         return ret
 

scdataloader/preprocess.py

@@ -59,6 +59,7 @@ def __init__(
         do_postp: bool = True,
         organisms: list[str] = ["NCBITaxon:9606", "NCBITaxon:10090"],
         use_raw: bool = True,
+        keepdata: bool = False,
     ) -> None:
         """
         Initializes the preprocessor and configures the workflow steps.
@@ -99,6 +100,8 @@ def __init__(
                 This arg is used in the highly variable gene selection step.
             skip_validate (bool, optional): Determines whether to skip the validation step.
                 Defaults to False.
+            keepdata (bool, optional): Determines whether to keep the data in the AnnData object.
+                Defaults to False.
         """
         self.filter_gene_by_counts = filter_gene_by_counts
         self.filter_cell_by_counts = filter_cell_by_counts
@@ -124,6 +127,7 @@ def __init__(
         self.is_symbol = is_symbol
         self.do_postp = do_postp
         self.use_raw = use_raw
+        self.keepdata = keepdata
 
     def __call__(self, adata, dataset_id=None) -> AnnData:
         if adata[0].obs.organism_ontology_term_id.iloc[0] not in self.organisms:
@@ -144,12 +148,13 @@ def __call__(self, adata, dataset_id=None) -> AnnData:
                     print("X was not raw counts, using 'counts' layer")
                     adata.X = adata.layers["counts"].copy()
             print("Dropping layers: ", adata.layers.keys())
-            del adata.layers
-        if len(adata.varm.keys()) > 0:
+            if not self.keepdata:
+                del adata.layers
+        if len(adata.varm.keys()) > 0 and not self.keepdata:
             del adata.varm
-        if len(adata.obsm.keys()) > 0 and self.do_postp:
+        if len(adata.obsm.keys()) > 0 and self.do_postp and not self.keepdata:
             del adata.obsm
-        if len(adata.obsp.keys()) > 0 and self.do_postp:
+        if len(adata.obsp.keys()) > 0 and self.do_postp and not self.keepdata:
             del adata.obsp
         # check that it is a count
         print("checking raw counts")
@@ -478,7 +483,7 @@ def __call__(
                 try:
                     if file.size > MAXFILESIZE:
                         print(
-                            f"dividing the dataset as it is too large: {file.size//1_000_000_000}Gb"
+                            f"dividing the dataset as it is too large: {file.size // 1_000_000_000}Gb"
                         )
                         num_blocks = int(np.ceil(file.size / (MAXFILESIZE / 2)))
                         block_size = int(