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Packages
chemical_checker
Commits
148a0365
Commit
148a0365
authored
Feb 15, 2021
by
Martino Bertoni
🌋
Browse files
fix minor bug in converter
parent
efa263c1
Pipeline
#2414
passed with stages
in 4 minutes and 38 seconds
Changes
1
Pipelines
1
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Inline
Side-by-side
package/chemicalchecker/util/parser/converter.py
View file @
148a0365
...
...
@@ -48,7 +48,7 @@ class Converter():
if
not
inchi
:
raise
ConversionError
(
"'MolToInchi' returned None."
,
smiles
)
inchikey
=
self
.
Chem
.
rdinchi
.
InchiToInchiKey
(
inchi
)
if
not
inchi
:
if
not
inchi
key
:
raise
ConversionError
(
"'InchiToInchiKey' returned None"
,
smiles
)
try
:
mol
=
self
.
Chem
.
rdinchi
.
InchiToMol
(
inchi
)[
0
]
...
...
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