feat: update code to create the sample comparison without notebook

src/check_results_equivilence.py

@@ -25,7 +25,7 @@ def test_same_file(file1: str, file2: str) -> str:
         raise RuntimeError
 
 
-def main(test_sample_paths: str, conditions: list[str]) -> None:
+def main(test_sample_paths: str, conditions: list[str], outpath: str) -> None:
     with open(test_sample_paths, "r") as handle:
         samples = [r.strip().split("/")[-1].strip(".vcf") for r in handle.readlines()]
     conditions_pairwise = list(combinations(conditions, r=2))
@@ -64,16 +64,41 @@ def main(test_sample_paths: str, conditions: list[str]) -> None:
     df = pd.DataFrame(
         results, columns=["condition1", "condition2", "sample", "file", "matching"]
     )
-    df.to_csv("data/pairwise_equality.csv", sep=",", index=None)
+    df.to_csv(f"{outpath}.csv", sep=",", index=None)
+
+    samples = df["sample"].unique()
+    print(samples)
+
+    gb_pairwise_df = df.groupby(by=["condition1", "condition2"])
+    groups = list(gb_pairwise_df.groups.keys())
+
+    # decompose table to be samples and group focused
+    data_dict = {}
+    for group in groups:
+        str_group = f"{'__'.join(group)}"
+        data_dict[str_group] = {}
+        group_df = gb_pairwise_df.get_group(group)
+        for sample in samples:
+            data_dict[str_group][sample] = group_df.loc[
+                group_df["sample"] == sample
+            ].sort_values(by="file")
+
+    # save data to analyse further
+    with pd.ExcelWriter(f"{outpath}.xlsx", engine="openpyxl") as writer:
+        for g, data in data_dict.items():
+            for idx, (_, file_data) in enumerate(data.items()):
+                file_data.to_excel(
+                    writer,
+                    sheet_name=g,
+                    startrow=(idx * len(file_data)) + (2 * idx),
+                )
 
 
 if __name__ == "__main__":
     test_sample_paths = "data/test_samples.txt"
     conditions = [
         "validation_data",
-        "v1.2.6_manifest_version",
-        "pgxCleaner_server",
         "pgxCleaner_prod_updates",
     ]
-
+    outpath = "data/test"
-    main(test_sample_paths, conditions)
+    main(test_sample_paths, conditions, outpath)