From 8302d0186776ba34e83655e8429ba3e56736983e Mon Sep 17 00:00:00 2001
From: Tanushree Tunstall <tanu@tunstall.in>
Date: Tue, 9 Feb 2021 15:00:03 +0000
Subject: [PATCH] check to handle missing I/O/P dirs if drug unset

---
 foldx/runFoldx.py | 12 ++++++++++--
 1 file changed, 10 insertions(+), 2 deletions(-)

diff --git a/foldx/runFoldx.py b/foldx/runFoldx.py
index 7b89ae9..b5a4e69 100755
--- a/foldx/runFoldx.py
+++ b/foldx/runFoldx.py
@@ -73,6 +73,14 @@ pdb_filename = args.pdb_file
 # Just the filename, thanks
 #pdb_name = Path(in_filename_pdb).stem
 
+
+# Handle the case where neither 'drug' 
+# nor (indir,outdir,process_dir) are defined
+if not drug:
+    if not indir or not outdir or not process_dir:
+        print('ERROR: if "drug" is not specified, you must specify Input, Output, and Process directories')
+        sys.exit()
+
 #==============
 # directories
 #==============
@@ -80,8 +88,7 @@ if not datadir:
     datadir = homedir + '/' + 'git/Data'
     
 if not indir:
-    indir = 
-    datadir + '/' + drug + '/input'
+    indir = datadir + '/' + drug + '/input'
     
 if not outdir:
     outdir = datadir + '/' + drug + '/output'
@@ -141,6 +148,7 @@ print('Arguments being passed:'
 , '\n=============================================================')
 
 #### Delay for 10 seconds to check the params ####
+print('Sleeping for 10 seconds to give you time to cancel')
 time.sleep(10)
 #=======================================================================