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woshixuhao
commited on
Commit
·
1a6c097
1
Parent(s):
f713a6a
Update app.py
Browse files
app.py
CHANGED
@@ -254,7 +254,7 @@ def predict_single(smile,PE,EA,DCM,MeOH,Et20):
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config = parse_args()
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config.add_dipole = False
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eluent_sum=PE+EA+DCM+MeOH+Et20
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-
if eluent_sum
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eluent_list=[PE/eluent_sum,EA/eluent_sum,DCM/eluent_sum,MeOH/eluent_sum,Et20/eluent_sum]
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else:
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eluent_list=[0,0,0,0,0]
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config = parse_args()
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config.add_dipole = False
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eluent_sum=PE+EA+DCM+MeOH+Et20
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+
if eluent_sum!=0:
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eluent_list=[PE/eluent_sum,EA/eluent_sum,DCM/eluent_sum,MeOH/eluent_sum,Et20/eluent_sum]
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else:
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eluent_list=[0,0,0,0,0]
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