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Norman Ziegner
deepFPlearn
Commits
3e8ef5ae
Commit
3e8ef5ae
authored
May 28, 2020
by
Jana Schor
Browse files
canonical smiles transformation enabled, exit statement removded
parent
474490f1
Changes
1
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Inline
Side-by-side
dfplmodule.py
View file @
3e8ef5ae
...
@@ -279,7 +279,7 @@ def XfromInput(csvfilename, rtype, fptype, printfp=False, retNames=False, size=2
...
@@ -279,7 +279,7 @@ def XfromInput(csvfilename, rtype, fptype, printfp=False, retNames=False, size=2
#Ncols = len(DataStructs.BitVectToText(fps[0]))
#Ncols = len(DataStructs.BitVectToText(fps[0]))
if
verbose
>
0
:
if
verbose
>
0
:
print
(
f
'[INFO] Returned # of fingerprints:
{
Nrows
}
'
)
print
(
f
'[INFO] Returned # of fingerprints:
{
Nrows
}
'
)
exit
(
0
)
# Store all fingerprints in numpy array
# Store all fingerprints in numpy array
x
=
np
.
empty
((
Nrows
,
Ncols
),
int
)
x
=
np
.
empty
((
Nrows
,
Ncols
),
int
)
...
...
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