From 2fa9b669175d361e68e11e22b7a62fa4600deb8e Mon Sep 17 00:00:00 2001 From: zfalls Date: Mon, 2 Aug 2021 21:50:57 -0400 Subject: [PATCH] fix run_test.py and related functions --- cando/cando.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/cando/cando.py b/cando/cando.py index 1d6b9d9..291cdee 100644 --- a/cando/cando.py +++ b/cando/cando.py @@ -4529,7 +4529,10 @@ def add_cmpds(cmpd_list, file_type='smi', fp="rd_ecfp4", vect="int", cmpd_dir=". @return Returns None """ start = time.time() - pre = os.path.dirname(__file__) + "/data/v2.2+/" + if v=='test.0': + pre = "cando/data/v2.2+/" + else: + pre = os.path.dirname(__file__) + "/data/v2.2+/" # List of new compounds loaded into df ncs = pd.read_csv(cmpd_list, sep='\t', header=None)