Commit 8f198bd4 authored by Jana Schor's avatar Jana Schor
Browse files

canonical smiles transformation enabled, exit statement removded

parent 3e8ef5ae
......@@ -257,6 +257,7 @@ def XfromInput(csvfilename, rtype, fptype, printfp=False, retNames=False, size=2
i = i + 1
# smiles, need to be converted to fp first
fp = None
fptmp = smi2fp(smile=row[feature], fptype=fptype, size=size)
if fptmp:
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment