fix save pred

main_custom.py

@@ -266,12 +266,12 @@ def save_pred(model, data_val, forward, output_path):
             charges.extend(charge.data.cpu().tolist())
             true_rt.extend(rt.data.cpu().tolist())
             true_int.extend(intensity.data.cpu().tolist())
-            data_frame['rt pred'] = pred_rt
-            data_frame['seq'] = seqs
-            data_frame['pred int'] = pred_int
-            data_frame['true rt'] = true_rt
-            data_frame['true int'] = true_int
-            data_frame['charge'] = charges
+        data_frame['rt pred'] = pred_rt
+        data_frame['seq'] = seqs
+        data_frame['pred int'] = pred_int
+        data_frame['true rt'] = true_rt
+        data_frame['true int'] = true_int
+        data_frame['charge'] = charges
 
 
 
@@ -285,9 +285,9 @@ def save_pred(model, data_val, forward, output_path):
             pred_rt.extend(pr_rt.data.cpu().tolist())
             seqs.extend(seq.data.cpu().tolist())
             true_rt.extend(rt.data.cpu().tolist())
-            data_frame['rt pred'] = pred_rt
-            data_frame['seq'] = seqs
-            data_frame['true rt'] = true_rt
+        data_frame['rt pred'] = pred_rt
+        data_frame['seq'] = seqs
+        data_frame['true rt'] = true_rt
 
 
     if forward == 'int':  #adapted to prosit dataset format
@@ -300,10 +300,10 @@ def save_pred(model, data_val, forward, output_path):
             seqs.extend(seq.data.cpu().tolist())
             charges.extend(charge.data.cpu().tolist())
             true_int.extend(intensity.data.cpu().tolist())
-            data_frame['seq'] = seqs
-            data_frame['pred int'] = pred_int
-            data_frame['true int'] = true_int
-            data_frame['charge'] = charges
+        data_frame['seq'] = seqs
+        data_frame['pred int'] = pred_int
+        data_frame['true int'] = true_int
+        data_frame['charge'] = charges
 
     data_frame.to_csv(output_path)