diff calculate_pore_diameter_aqp.py @ 12:0948dffa06f9 draft

"planemo upload for repository https://github.com/mesocentre-clermont-auvergne/aubi_piaf commit 9167288bf44ec486f68dade6f4fca41728690dd6-dirty"

--- a/calculate_pore_diameter_aqp.py	Tue Jun 07 12:00:21 2022 +0000
+++ b/calculate_pore_diameter_aqp.py	Tue Jun 14 13:21:06 2022 +0000
@@ -83,7 +83,7 @@
         "--xtc_file_ext", type=str, nargs=1, help="""My input .xtc file"""
     )
     parser.add_argument(
-        "-w", "--work_directory", type=str, nargs=1,
+        "-w", "--work_directory", type=str, default="./",
         help="""It's work Directory"""
     )
     parser.add_argument(
@@ -1054,8 +1054,10 @@
     df_final = create_final_dataframe(resid_arr1, resid_arr2,
                                       resid_npa1, resid_npa2, u)
     if len(output_directory) > 2:
-        if not os.path.exists(output_directory):
-            os.makedirs(output_directory)
+        try:
+            os.makedirs(output_directory, exist_ok=True)
+        except OSError:
+            print("Directory '%s' can not be created")
         os.chdir(output_directory)
     if len(output) > 2:
         df_final.to_csv(output, sep="\t", index=False)