fix run_test.py and related functions

ram-compbio · Aug 3, 2021 · c281990 · c281990
1 parent 56a6044
commit c281990
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Showing 2 changed files with 6 additions and 4 deletions.
diff --git a/cando/cando.py b/cando/cando.py
@@ -4045,7 +4045,7 @@ def print_time(s):
     c_id = int(c_id)
 
     if org=='test':
-        pre = "cando/data/v2.2+/"
+        pre = "."
     else:
         pre = os.path.dirname(__file__) + "/data/v2.2+/"
     lig_path = "{}/ligs/fps".format(pre)
@@ -4167,7 +4167,7 @@ def print_time(s):
     start = time.time()
 
     if org=='test':
-        pre = "cando/data/v2.2+/"
+        pre = "."
     else:
         pre = os.path.dirname(__file__) + "/data/v2.2+/"
 
@@ -4434,7 +4434,7 @@ def print_time(s):
     print("Generating CANDO signature...")
     start = time.time()
     if org=='test':
-        pre = "cando/data/v2.2+/"
+        pre = "."
     else:
         pre = os.path.dirname(__file__) + "/data/v2.2+/"
     lig_path = "{}/ligs/fps/".format(pre)
@@ -4926,7 +4926,7 @@ def get_data(v="v2.2", org='nrpdb', fp='rd_ecfp4', vect='int'):
         sys.exit()
     print('Downloading data for {}...'.format(v))
     if org=='test':
-        pre = "cando/data/v2.2+"
+        pre = "."
     else:
         pre = os.path.dirname(__file__) + "/data/v2.2+"
     # Dirs

diff --git a/run_test.py b/run_test.py
@@ -141,7 +141,9 @@
 
 print("Test #15 - Add and save compound then generate new matrix")
 print('-------')
+print(os.listdir())
 cnd.add_cmpds(new_cmpds, cmpd_dir=cmpd_dir, v="test.0")
+print(os.listdir())
 cnd.generate_matrix(v="test.1", org="test", out_file=matrix_file, ncpus=ncpus)
 print('\n')