Minor edits to output paths NO_JIRA

pmbulit · pmbulit · commit 715f07392d08 · 2024-07-04T10:51:35.000+01:00
diff --git a/hbp.py b/hbp.py
@@ -0,0 +1,3 @@
+# Created by Pablo Martinez-Bulit on 06/06/2024
+# The Cambridge Crystallographic Data Centre
+# pbulit@ccdc.cam.ac.uk
diff --git a/scripts/mof_solvent_removal_2017_chem_mater_publication/Command_prompt_MOF_solvent_removal.py b/scripts/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:

Original file line number	Diff line number	Diff line change
`@@ -0,0 +1,3 @@`
	`1`	`+# Created by Pablo Martinez-Bulit on 06/06/2024`
	`2`	`+# The Cambridge Crystallographic Data Centre`
	`3`	`+# pbulit@ccdc.cam.ac.uk`