fix save preds with file

main_custom.py

@@ -272,15 +272,15 @@ def get_n_params(model):
     return pp
 
 def save_pred(model, data_val, forward, output_path, file = False):
-    if file :
-        data_val.dataset.set_file_mode(True)
+
     data_frame = pd.DataFrame()
     model.eval()
     for param in model.parameters():
         param.requires_grad = False
     if forward == 'both':
         pred_rt, pred_int, seqs, charges, true_rt, true_int, file_list = [], [], [], [], [], [], []
-        data_val.data.set_file_mode(True)
+        if file:
+            data_val.dataset.set_file_mode(True)
         for seq, charge, rt, intensity, file in data_val:
             rt, intensity = rt.float(), intensity.float()
             if torch.cuda.is_available():