Update app.py

app.py

@@ -145,35 +145,47 @@ with tab1:
         st.dataframe(robot_script_df)
         st.download_button("Download Robot Script CSV", robot_script_df.to_csv(index=False), "robot_script.csv", key="download_csv_tab1_robot")
 
-        # === Robot Preparation Script (Based on Ascending Order 3244 → 4882) ===
-        st.subheader("Robot Preparation Script (Based on Ascending Order 3244 → 4882)")
+        # === Robot Preparation Script (Custom Order: 4402 → 3244, 4882 → 4455) ===
+        st.subheader("Robot Preparation Script (Custom Order: 4402 → 3244, 4882 → 4455)")
         
-        df_sorted_ascend =df[[str(h) for h in ascending_headers if str(h) in df.columns]].copy()
+        # Include 3614 in custom header list
+        custom_headers = [
+            4402, 4349, 4298, 4245, 4190, 4145, 4089, 4039,
+            3985, 3933, 3879, 3824, 3773, 3720, 3665, 3614,
+            3562, 3509, 3455, 3399, 3350, 3297, 3244,
+            4882, 4828, 4773, 4720, 4668, 4615, 4561, 4510, 4455
+        ]
         
-        # Only insert 'Sample' if it doesn't already exist
-        if 'Sample' not in df_sorted_ascend.columns:
-            df_sorted_ascend.insert(0, 'Sample', range(1, len(df_sorted_ascend)+1))
+        # Create a copy of df and reorder columns based on custom headers
+        df_sorted_custom = df[[str(h) for h in custom_headers if str(h) in df.columns]].copy()
         
-        # Recalculate donors and volume
-        df_sorted_ascend['# donors'] = df_sorted_ascend.iloc[:, 1:].sum(axis=1)
-        df_sorted_ascend['volume donors (µl)'] = 32 / df_sorted_ascend['# donors']
-
-        st.subheader("df_sorted_ascend")
-        st.write(df_sorted_ascend)
+        # Insert fake column "3614" if missing
+        if "3614" not in df_sorted_custom.columns:
+            idx = custom_headers.index(3614)
+            insert_at = idx  # 0-based index
+            df_sorted_custom.insert(insert_at, "3614", 0)
+        
+        # Insert 'Sample' if missing
+        if "Sample" not in df_sorted_custom.columns:
+            df_sorted_custom.insert(0, 'Sample', range(1, len(df_sorted_custom) + 1))
+        
+        # Calculate donor info
+        df_sorted_custom['# donors'] = df_sorted_custom.iloc[:, 1:].sum(axis=1)
+        df_sorted_custom['volume donors (µl)'] = 32 / df_sorted_custom['# donors']
         
-        robot_script_ascend = []
-        # Use the same 32 source wells
-        for i, col in enumerate(df_sorted_ascend.columns[1:33]):
-            for row_idx, sample in df_sorted_ascend.iterrows():
+        # Generate robot script
+        robot_script_custom = []
+        for i, col in enumerate(df_sorted_custom.columns[1:33]):  # 32 columns after Sample
+            for row_idx, sample in df_sorted_custom.iterrows():
                 if sample[col] == 1:
                     source = source_wells[i]
                     dest = f"A{sample['Sample']}"
                     vol = round(sample['volume donors (µl)'], 2)
-                    robot_script_ascend.append({'Source': source, 'Destination': dest, 'Volume': vol})
+                    robot_script_custom.append({'Source': source, 'Destination': dest, 'Volume': vol})
         
-        robot_script_ascend_df = pd.DataFrame(robot_script_ascend)
-        st.dataframe(robot_script_ascend_df)
-        st.download_button("Download Ascending Robot Script CSV", robot_script_ascend_df.to_csv(index=False), "robot_script_ascending.csv", key="download_csv_tab1_robot_ascend")
+        robot_script_custom_df = pd.DataFrame(robot_script_custom)
+        st.dataframe(robot_script_custom_df)
+        st.download_button("Download Custom Order Robot Script CSV", robot_script_custom_df.to_csv(index=False), "robot_script_custom_order.csv", key="download_csv_tab1_robot_custom")
 
 # Tab 2: EF → Binary
 with tab2: