adding version works better for logs now, it is saved as an int rathe…

…r than a string

src/molearn/trainers/trainer.py

@@ -143,7 +143,10 @@ def prepare_logs(self, log_filename, log_folder=None):
         if log_folder is not None:
             if not os.path.exists(log_folder):
                 os.mkdir(log_folder)
-            self.log_filename = log_folder+'/'+self.log_filename
+            if hasattr(self, "_repeat") and self._repeat >0:
+                self.log_filename = f'{log_folder}/{self._repeat}_{self.log_filename}'
+            else:
+                self.log_filename = f'{log_folder}/{self.log_filename}'
 
 
     def run(self, max_epochs=100, log_filename=None, log_folder=None, checkpoint_frequency=1, checkpoint_folder='checkpoint_folder', allow_n_failures=10, verbose=None, allow_grad_in_valid=False):
@@ -166,6 +169,7 @@ def run(self, max_epochs=100, log_filename=None, log_folder=None, checkpoint_fre
         :param bool verbose: (default: None) set trainer.verbose. If True, the epoch logs will be printed as well as written to log_filename 
 
         '''
+        self.get_repeat(checkpoint_folder)
         self.prepare_logs(log_filename if log_filename is not None else self.log_filename, log_folder)
         #if log_filename is not None:
         #    self.log_filename = log_filename
@@ -382,7 +386,6 @@ def checkpoint(self, epoch, valid_logs, checkpoint_folder, loss_key='valid_loss'
         :param str checkpoint_folder:  The folder in which to save the checkpoint. 
         :param str loss_key: (default: 'valid_loss') The key with which to get loss from valid_logs.
         '''
-        self.get_repeat(checkpoint_folder)
         valid_loss = valid_logs[loss_key]
         if not os.path.exists(checkpoint_folder):
             os.mkdir(checkpoint_folder)
@@ -394,11 +397,11 @@ def checkpoint(self, epoch, valid_logs, checkpoint_folder, loss_key='valid_loss'
                     'atoms': self._data.atoms,
                     'std': self.std,
                     'mean': self.mean},
-                   f'{checkpoint_folder}/last{self._repeat}.ckpt')
+                   f'{checkpoint_folder}/last{f"_{self._repeat}" if self._repeat > 0 else ""}.ckpt')
 
         if self.best is None or self.best > valid_loss:
-            filename = f'{checkpoint_folder}/checkpoint{self._repeat}_epoch{epoch}_loss{valid_loss}.ckpt'
-            shutil.copyfile(f'{checkpoint_folder}/last{self._repeat}.ckpt', filename)
+            filename = f'{checkpoint_folder}/checkpoint{f"_{self._repeat}" if self._repeat>0 else ""}_epoch{epoch}_loss{valid_loss}.ckpt'
+            shutil.copyfile(f'{checkpoint_folder}/last{f"_{self._repeat}" if self._repeat>0 else ""}.ckpt', filename)
             if self.best is not None:
                 os.remove(self.best_name)
             self.best_name = filename
@@ -441,14 +444,12 @@ def get_repeat(self, checkpoint_folder):
         if not os.path.exists(checkpoint_folder):
             os.mkdir(checkpoint_folder)
         if not hasattr(self, '_repeat'):
-            _repeat = 0
-            self._repeat = f'_{_repeat}' if _repeat>0 else ''
+            self._repeat = 0
             for i in range(1000):
-                if not os.path.exists(checkpoint_folder+f'/last{self._repeat}.ckpt'):
+                if not os.path.exists(checkpoint_folder+f'/last{f"_{self._repeat}" if self._repeat>0 else ""}.ckpt'):
                     break#os.mkdir(checkpoint_folder)
                 else:
-                    _repeat += 1
-                    self._repeat = f'_{_repeat}' if _repeat>0 else ''
+                    self._repeat += 1
             else:
                 raise Exception('Something went wrong, you surely havnt done 1000 repeats?')