Merge pull request #61 from ccdc-opensource/output_dir_bug_fix_NO_JIRA

Output dir bug fix no jira
ccdc-opensource · Jul 4, 2024 · 72c74d7 · 72c74d7
2 parents 4b3129d + f7b6401
commit 72c74d7
Showing 1 changed file with 4 additions and 1 deletion.
diff --git a/...pts/mof_solvent_removal_2017_chem_mater_publication/Command_prompt_MOF_solvent_removal.py b/...pts/mof_solvent_removal_2017_chem_mater_publication/Command_prompt_MOF_solvent_removal.py
@@ -45,7 +45,10 @@
 
 args = arg_handler.parse_args()
 if not args.output_directory:
-    args.output_directory = os.path.dirname(args.input_file)
+    args.output_directory = os.path.abspath(os.path.dirname(args.input_file))
+
+if not os.path.exists(args.output_directory):
+    os.makedirs(args.output_directory)
 
 # Define the solvent smiles patterns
 if not args.solvent_file: