Automatically generate a restart from seed file

rmgpy/rmg/main.py

@@ -1251,7 +1251,7 @@ def makeSeedMech(self,firstTime=False):
                     q += 1
                 self.name = name + str(q)
 
-        seedDir = os.path.join(self.outputDirectory,'seed')
+        seedDir = os.path.join(self.outputDirectory, 'seed')
         filter_dir = os.path.join(seedDir, 'Filters')
         temp_seed_dir = os.path.join(self.outputDirectory, 'seed_tmp')
 
@@ -1360,6 +1360,15 @@ def makeSeedMech(self,firstTime=False):
             with open(os.path.join(filter_dir, 'family_map.yml'), 'w') as f:
                 yaml.dump(data=family_map, stream=f)
 
+            # Generate a file for restarting from a seed mechanism if this is not a restart job
+            if firstTime and (not self.restart_seed_path):
+                with open(self.inputFile, 'r') as f:
+                    input_text = f.readlines()
+
+                with open(os.path.join(self.outputDirectory, 'restart_from_seed.py'), 'w') as f:
+                    f.write('restartFromSeed(\n    path=\'seed\'\n)\n\n')
+                    f.write(''.join(input_text))
+
             # Finally, delete the seed mechanism from the previous iteration (if it exists)
             if os.path.exists(temp_seed_dir):
                 shutil.rmtree(temp_seed_dir)